SCHEMBL31153374

SCHEMBL31153374

CS(=O)(=O)N1CCC(Nc2ncc3cc(CC(F)F)c(=O)n([C@@H]4CCC[C@@H](O)C4)c3n2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 20/20 1.00
CDK2 P24941 20/20 1.00
CCND1 P24385 17/20 1.00
CDK6 Q00534 17/20 1.00
CDK4 P11802 2/20 0.73
CCND3 P30281 2/20 0.73
CCNT1 O60563 1/20 0.73
CDK9 P50750 1/20 0.73

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
SCHEMBL19857390 1.00 CCNE1 (1.00) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL22787374 0.98 CCNE1 (0.95) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL19863679 0.96 CCNE1 (1.00) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL19863680 0.96 CCNE1 (1.00) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL19863664 0.92 CCNE1 (1.00) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL19863721 0.88 CCNE1 (1.00) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL19857369 0.88 CCNE1 (1.00) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL19857429 0.88 CCNE1 (1.00) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL19863722 0.88 CCNE1 (1.00) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL19863716 0.88 CCNE1 (1.00) CCNE1CDK2CCND1CDK6CDK4

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
CN-114394966-B Pyridopyrimidinone CDK2/4/6 inhibitors 辉瑞公司 2024-10-11 CN disclosed