Kinase-likeness and kinase-privileged fragments: toward virtual polypharmacology.

  title={Kinase-likeness and kinase-privileged fragments: toward virtual polypharmacology.},
  author={Alex M. Aronov and Brian McClain and Cameron Stuver Moody and Mark A. Murcko},
  journal={Journal of medicinal chemistry},
  volume={51 5},
Small molecule protein kinase inhibitors are widely employed as biological reagents and as leads in the design of drugs for a variety of diseases. We investigated the phenomenon of kinase-likeness, i.e., the propensity of ligands to inhibit protein kinases, in the context of kinase-specific substructural fragments. The frequency of occurrence of multiple structural fragments in kinase inhibitor libraries relative to nonkinase compounds has been analyzed. A combination of structural fragment… CONTINUE READING