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SCHEMBL24670374

SCHEMBL24670374

CC(C)n1c(=O)c(Cl)cc2cnc(NC3CCN(S(C)(=O)=O)CC3)nc21

nearest known ligand 0.72

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CCNE1 P24864 20/20 0.72
▸ CDK2 P24941 20/20 0.72
▸ CCND1 P24385 19/20 0.72
▸ CDK6 Q00534 19/20 0.72
▸ CCNT1 O60563 6/20 0.72
▸ CDK9 P50750 6/20 0.72
▸ CDK4 P11802 5/20 0.72
▸ CCND3 P30281 2/20 0.72

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
SCHEMBL27359747 0.87 CCNE1 (0.55) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL19886170 0.87 CCNE1 (0.76) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL25122935 0.86 CCNE1 (0.55) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL24670369 0.85 CCNE1 (0.74) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL25123261 0.85 CCNE1 (0.54) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL29991230 0.85 CCNE1 (0.54) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL25123008 0.85 CCNE1 (0.54) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL19863603 0.84 CCNE1 (1.00) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL24670373 0.84 CCNE1 (0.75) CCNE1CDK2CCND1CDK6CCNT1
SCHEMBL25123469 0.83 MAPK8 (0.68) CCNE1CDK2CCND1CDK6CCNT1

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-2022187693-A1 COVALENT CDK2-BINDING COMPOUNDS FOR THERAPEUTIC PURPOSES UMBRA THERAPEUTICS INC. (US) 2022-09-09 — — WO disclosed