SCHEMBL24676532

SCHEMBL24676532

CC(O)c1nc(C(F)(F)F)c(-c2nc(NC3CCN(S(C)(=O)=O)CC3)ncc2F)s1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 20/20 0.54
CCNE1 P24864 17/20 0.54
CDK1 P06493 12/20 0.54
CCNB1 P14635 9/20 0.54
CCNB2 O95067 2/20 0.54
CCNE2 O96020 2/20 0.54
CDK5 Q00535 2/20 0.54
CDK5R1 Q15078 2/20 0.54
CCNB3 Q8WWL7 2/20 0.54
CCND1 P24385 13/20 0.47
CDK4 P11802 11/20 0.47
CDK6 Q00534 10/20 0.47
CCND3 P30281 7/20 0.47
CCNT1 O60563 1/20 0.44
CDK9 P50750 1/20 0.44

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
SCHEMBL24676057 0.93 CDK2 (0.56) CDK2CCNE1CDK1CCNB1CCNB2
SCHEMBL24675975 0.93 CDK2 (0.52) CDK2CCNE1CDK1CCNB1CCNB2
SCHEMBL24676041 0.90 CDK2 (0.53) CDK2CCNE1CDK1CCNB1CCNB2
SCHEMBL29754845 0.90 CDK2 (0.53) CDK2CCNE1CDK1CCNB1CCNB2
SCHEMBL24676859 0.89 CDK2 (0.52) CDK2CCNE1CDK1CCNB1CCNB2
SCHEMBL24676990 0.88 CDK2 (0.58) CDK2CCNE1CDK1CCNB1CCNB2
SCHEMBL24676009 0.87 CDK2 (0.55) CDK2CCNE1CDK1CCNB1CCNB2
SCHEMBL24676431 0.87 CDK2 (0.59) CDK2CCNE1CDK1CCNB1CCNB2
SCHEMBL24676792 0.86 CDK2 (0.54) CDK2CCNE1CDK1CCNB1CCNB2
SCHEMBL24676534 0.86 CCND1 (0.38) 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 2 patents. 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
WO-2022155941-A1 CDK2 INHIBITORS QILU REGOR THERAPEUTICS INC. (CN) 2022-07-28 WO disclosed