SCHEMBL24676777

SCHEMBL24676777

CS(=O)(=O)N1CCC(Nc2ncc(F)c(-c3sc(N[C@H]4CCC[C@@H]4O)nc3C(F)(F)F)n2)CC1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 18/20 0.51
CCNE1 P24864 17/20 0.51
CDK1 P06493 7/20 0.51
CCNB1 P14635 7/20 0.51
CCNB2 O95067 1/20 0.51
CCNE2 O96020 1/20 0.51
CDK5 Q00535 1/20 0.51
CDK5R1 Q15078 1/20 0.51
CCNB3 Q8WWL7 1/20 0.51
CDK6 Q00534 13/20 0.47
CCND1 P24385 12/20 0.47
CCND3 P30281 9/20 0.47
CDK4 P11802 8/20 0.47
CCNA2 P20248 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL24676773 1.00 CDK2 (0.51) CDK2CCNE1CDK1CCNB1CCNB2
SCHEMBL24676671 1.00 CDK2 (0.51) CDK2CCNE1CDK1CCNB1CCNB2
SCHEMBL24675979 0.91 CDK2 (0.56) CDK2CCNE1CDK1CCNB1CCNB2
SCHEMBL24676795 0.89 CDK2 (0.57) CDK2CCNE1CDK1CCNB1CCNB2
SCHEMBL24676919 0.89 CDK2 (0.58) CDK2CCNE1CDK1CCNB1CCNB2
SCHEMBL24676798 0.87 CDK2 (0.57) CDK2CCNE1CDK1CCNB1CCNB2
SCHEMBL24676718 0.86 CDK2 (0.51) CDK2CCNE1CDK1CCNB1CCNB2
SCHEMBL24676717 0.86 CDK2 (0.51) CDK2CCNE1CDK1CCNB1CCNB2
SCHEMBL24676792 0.86 CDK2 (0.54) CDK2CCNE1CDK1CCNB1CCNB2
SCHEMBL24676021 0.85 CDK2 (0.55) CDK2CCNE1CDK1CCNB1CCNB2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022155941-A1 CDK2 INHIBITORS QILU REGOR THERAPEUTICS INC. (CN) 2022-07-28 WO disclosed