Protein Kinase Diversity Set

Protein kinases are among the most intensively pursued classes of drug targets related to various diseases. As of 2021 there have been 71 small-molecule kinase inhibitors (SMKIs) approved by the FDA targeting 21 kinase families that constitute approximately 20 % of the kinome [1]. Although oncology remains the predominant area for their application, 11 kinase inhibitors have been approved for immune system­ related indications, mostly autoimmune (e.g., rheumatoid arthritis) and inflammatory disorders.

Current kinase drug discovery applies small-molecule compound screening against comprehensive panels of kinases and their mutants as the standard approach [2]. Many screening assays and techniques which 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 developed this Protein Kinase Diversity Set to pick 2,000 potential small-molecule inhibitors of protein and lipid kinases from the Life Chemicals HTS Compound Collection. The selected drug-like screening compounds possess optimal physicochemical properties and maximal diversity.

Key features:

  • Similarity (Tanimoto ≥ 0.82) to known protein kinase inhibitors with confirmed high activity (in particular, IC50, Ki, ≤ 3uM, Residual Activity ≤ 50 %, etc.)
  • A number of known modulators of protein kinases included
  • High diversity over the screening set: mean Tanimoto = 0.34 (ECFP fingerprints)
  • Only drug-like molecules: Lipinski's Rule of Five and Veber criteria compliant
  • Lilly MedChem Rules compliant
  • No PAINS (A, B, C families), toxic, reactive and unstable compounds

The compound selection can be customized based on your requirements, cherry picking is available.

Please, contact us at orders@lifechemicals.com for any additional information and price quotations.

For a pre plated set based on this Screening Library, please explore our Pre-plated Focused Libraries.

Representative compounds from Protein Kinase Diversity Set

Figure 1. Representative compounds from Protein Kinase Diversity Set

References

  1. 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
  2. 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
This site uses cookies. Some of these cookies are essential, while others help us improve your experience by providing insights into how the site is being used. By using our website, you accept our conditions of use of cookies to track data and create content (including advertising) based on your interest. Accept