SCHEMBL22310673

SCHEMBL22310673

COc1cc(CC(=O)Nc2cc([C@H]3CCC(OC(=O)NC(C)CC(F)F)C3)[nH]n2)ccn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CCNE1 P24864 20/20 1.00
▸ CDK2 P24941 20/20 1.00
▸ GSK3B P49841 17/20 1.00

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
SCHEMBL22311821 1.00 CCNE1 (1.00) CCNE1CDK2GSK3B
SCHEMBL22312348 0.93 CCNE1 (1.00) CCNE1CDK2GSK3B
SCHEMBL22312409 0.92 CCNE1 (1.00) CCNE1CDK2GSK3B
SCHEMBL31090787 0.91 CCNE1 (1.00) CCNE1CDK2GSK3B
SCHEMBL22312724 0.91 CCNE1 (1.00) CCNE1CDK2GSK3B
SCHEMBL22312740 0.91 CCNE1 (1.00) CCNE1CDK2GSK3B
SCHEMBL22312484 0.91 CCNE1 (1.00) CCNE1CDK2GSK3B
SCHEMBL22311815 0.91 CCNE1 (1.00) CCNE1CDK2GSK3B
SCHEMBL22311441 0.91 CCNE1 (1.00) CCNE1CDK2GSK3B
SCHEMBL22312725 0.89 CCNE1 (0.88) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020157652-A2 CDK2 INHIBITORS PFIZER INC. (US) 2020-08-06 — — WO disclosed
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