SCHEMBL31153369

SCHEMBL31153369

C[C@@]1(O)CCC[C@H]1n1c(=O)c(Cl)cc2cnc(NC3CCN(S(C)(=O)=O)CC3)nc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCND1 P24385 20/20 1.00
CCNE1 P24864 20/20 1.00
CDK2 P24941 20/20 1.00
CDK6 Q00534 20/20 1.00
CDK4 P11802 5/20 1.00
CCND3 P30281 4/20 1.00
CCNT1 O60563 3/20 1.00
CDK9 P50750 3/20 1.00
CCNE2 O96020 1/20 0.78
RB1 P06400 1/20 0.78
CDK1 P06493 1/20 0.78
CCNA2 P20248 1/20 0.78

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
SCHEMBL19857329 1.00 CCND1 (1.00) CCND1CCNE1CDK2CDK6CDK4
SCHEMBL19863682 1.00 CCND1 (1.00) CCND1CCNE1CDK2CDK6CDK4
SCHEMBL19857331 0.94 CCND1 (1.00) CCND1CCNE1CDK2CDK6CDK4
SCHEMBL22787395 0.94 CCND1 (1.00) CCND1CCNE1CDK2CDK6CDK4
SCHEMBL19863658 0.94 CCND1 (1.00) CCND1CCNE1CDK2CDK6CDK4
SCHEMBL19868173 0.92 CCNE1 (1.00) CCND1CCNE1CDK2CDK6CDK4
SCHEMBL19857364 0.92 CCNE1 (1.00) CCND1CCNE1CDK2CDK6CDK4
SCHEMBL19863698 0.91 CCNE1 (1.00) CCND1CCNE1CDK2CDK6CDK4
SCHEMBL19863697 0.91 CCNE1 (1.00) CCND1CCNE1CDK2CDK6CDK4
SCHEMBL25316105 0.90 CCNE1 (1.00) CCND1CCNE1CDK2CDK6CDK4

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