SCHEMBL22311437

SCHEMBL22311437

O=C(Cc1ccno1)Nc1cc(C2CCCC2)[nH]n1

nearest known ligand 0.70

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CCNE1 P24864 20/20 0.70
▸ CDK2 P24941 20/20 0.70
▸ GSK3B P49841 13/20 0.70

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
SCHEMBL22286743 0.88 CCNE1 (0.61) CCNE1CDK2GSK3B
SCHEMBL22311142 0.86 CCNE1 (0.70) CCNE1CDK2GSK3B
SCHEMBL22286650 0.83 CCNE1 (1.00) CCNE1CDK2GSK3B
SCHEMBL22286654 0.83 CCNE1 (1.00) CCNE1CDK2GSK3B
SCHEMBL25334234 0.81 CCNE1 (0.70) CCNE1CDK2GSK3B
SCHEMBL22286796 0.81 CCNE1 (1.00) CCNE1CDK2GSK3B
SCHEMBL22286791 0.81 CCNE1 (1.00) CCNE1CDK2GSK3B
SCHEMBL22312828 0.81 CCNE1 (0.84) CCNE1CDK2GSK3B
SCHEMBL25334224 0.81 CCNE1 (0.67) CCNE1CDK2GSK3B
SCHEMBL22312782 0.81 CCNE1 (1.00) CCNE1CDK2GSK3B

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
CN-113330000-B 3-Carbonylamino-5-cyclopentyl-1 FI-pyrrole compounds having inhibitory activity on CDK2 辉瑞公司 2024-12-24 — — CN disclosed
WO-2020157652-A2 CDK2 INHIBITORS PFIZER INC. (US) 2020-08-06 — — WO disclosed
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