SCHEMBL31153371

SCHEMBL31153371

CS(=O)(=O)N1CCC(Nc2ncc3ccc(=O)n(C4CCCC4)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 6/20 1.00
CCNT1 O60563 5/20 1.00
CDK9 P50750 5/20 1.00
CCND3 P30281 2/20 0.80

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
SCHEMBL19857308 1.00 CCNE1 (1.00) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL19863600 0.99 CCNE1 (1.00) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL19857500 0.99 CCNE1 (1.00) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL23290069 0.92 CCNE1 (1.00) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL19863714 0.92 CCNE1 (1.00) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL29508849 0.92 CCNE1 (0.85) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL19863598 0.92 CCNE1 (1.00) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL22860726 0.92 CCNE1 (0.85) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL29640992 0.92 CCNE1 (0.84) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL19857311 0.92 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