Protein kinases are among the most intensively pursued classes of drug targets related to various diseases. As of 2024, 80 inhibitors of approximately two dozen different kinases have been approved by the FDA, including 7 new approvals in 2023 alone [1]. Although oncology remains the predominant area for their application, several kinase inhibitors have been confirmed for immune system related indications, mostly autoimmune (e.g., rheumatoid arthritis) and inflammatory disorders.
Current kinase drug discovery is based on small-molecule compound screening against comprehensive panels of kinases and their mutants as the standard approach [2]. Many screening assays and techniques that are compatible with high-throughput screening (HTS) against kinases have extensively been pursued and developed. Modern trends in kinase inhibitor design include the development of allosteric and covalent kinase inhibitors, bifunctional inhibitors and chemical degraders [1].
We have prepared this Protein Kinase Diversity Set by picking out 3,200 potential small-molecule inhibitors of protein and lipid kinases from the Life Chemicals HTS Compound Collection (Fig. 1). The selected drug-like screening compounds are distinguished by their optimal physicochemical properties and maximal diversity.
Key features:
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Similarity (Tanimoto ≥ 0.82) to known protein kinase inhibitors with confirmed high activity (in particular, IC50, Ki, ≤ 9.5 uM, activity ≥ 50 %, etc.)
- A number of known modulators of protein kinases included
- High diversity over the screening set: mean diversity 0.901 (ECFP fingerprints)
- Covalent warheads present in selected structures
- Compound distributions for the specified physicochemical parameters, as well as target types, are illustrated in Fig. 1.
- Since over one‑third of FDA‑approved kinase inhibitors are known to violate Lipinski’s Rule of Five, this screening set was assembled without applying Ro5‑based filters.
The compound selection can be customized based on your requirements, cherry picking is available.
A non-overlapping Pre-plated Kinase Diversity Screening Set of 2,000 drug-like screening compounds is also available.
Please, contact us at orders@lifechemicals.com for any additional information and price quotations.
Representative compounds from Protein Kinase Diversity Set
Figure 1. Compound distribution by the key physicochemical parameters in the Protein Kinase Diversity Set (3200 compounds).
Figure 2. Compound distribution by target type in the Protein Kinase Diversity Set (3200 compounds).
References
- Attwood, M.M., Fabbro, D., Sokolov, A.V. et al. Trends in kinase drug discovery: targets, indications and inhibitor design. Nat Rev Drug Discov (2021). https://doi.org/10.1038/s41573-021-00252-y
- Wang Y, Ma H. Protein kinase profiling assays: a technology review. Drug Discov Today Technol. 2015 Nov;18:1-8. doi: 10.1016/j.ddtec.2015.10.007