SCHEMBL24676440

SCHEMBL24676440

CS(=O)(=O)N1CCC(Nc2ncc(F)c(-c3sc(CN4CC5CC5C4)nc3C(F)(F)F)n2)CC1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 20/20 0.51
CCNE1 P24864 18/20 0.51
CDK1 P06493 11/20 0.51
CCNB1 P14635 10/20 0.51
CCNB2 O95067 3/20 0.51
CCNE2 O96020 3/20 0.51
CDK5 Q00535 3/20 0.51
CDK5R1 Q15078 3/20 0.51
CCNB3 Q8WWL7 3/20 0.51
CCND1 P24385 10/20 0.46
CDK6 Q00534 9/20 0.46
CDK4 P11802 8/20 0.46
CCND3 P30281 7/20 0.46
CCNA2 P20248 1/20 0.41

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
SCHEMBL24675945 0.93 CDK2 (0.51) CDK2CCNE1CDK1CCNB1CCNB2
SCHEMBL24676575 0.92 CDK2 (0.53) CDK2CCNE1CDK1CCNB1CCNB2
SCHEMBL24676584 0.92 CDK2 (0.53) CDK2CCNE1CDK1CCNB1CCNB2
SCHEMBL24676666 0.91 CDK2 (0.49) CDK2CCNE1CDK1CCNB1CCNB2
SCHEMBL24676675 0.91 CDK2 (0.52) CDK2CCNE1CDK1CCNB1CCNB2
SCHEMBL24676586 0.91 CDK2 (0.52) CDK2CCNE1CDK1CCNB1CCNB2
SCHEMBL24676445 0.91 CDK2 (0.49) CDK2CCNE1CDK1CCNB1CCNB2
SCHEMBL24676447 0.91 CDK2 (0.50) CDK2CCNE1CDK1CCNB1CCNB2
SCHEMBL24676578 0.90 CDK2 (0.54) CDK2CCNE1CDK1CCNB1CCNB2
SCHEMBL24676672 0.90 CDK2 (0.51) 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