SCHEMBL30906865

SCHEMBL30906865

Cc1cnc(N[C@H]2CCN(S(C)(=O)=O)C[C@H]2F)nc1-c1ncc(CC(C)(C)O)s1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CDK6 Q00534 17/20 0.47
▸ CCND1 P24385 16/20 0.47
▸ CCNE1 P24864 14/20 0.47
▸ CDK2 P24941 14/20 0.47
▸ CCND3 P30281 6/20 0.43
▸ CDK4 P11802 5/20 0.43
▸ CDK1 P06493 1/20 0.40
▸ CCNB1 P14635 1/20 0.40

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
SCHEMBL27213197 1.00 CDK6 (0.47) CDK6CCND1CCNE1CDK2CCND3
SCHEMBL27213207 0.91 CCND1 (0.51) CDK6CCND1CCNE1CDK2CCND3
SCHEMBL27213177 0.90 CCNE1 (0.49) CDK6CCND1CCNE1CDK2CCND3
SCHEMBL27213220 0.90 CDK6 (0.46) CDK6CCND1CCNE1CDK2CCND3
SCHEMBL27213272 0.90 CCNE1 (0.49) CDK6CCND1CCNE1CDK2CCND3
SCHEMBL30906768 0.89 CDK6 (0.45) CDK6CCND1CCNE1CDK2CCND3
SCHEMBL27213148 0.89 CDK6 (0.45) CDK6CCND1CCNE1CDK2CCND3
SCHEMBL30906843 0.82 CCNE1 (0.49) CDK6CCND1CCNE1CDK2CCND3
SCHEMBL27213251 0.82 CCNE1 (0.49) CDK6CCND1CCNE1CDK2CCND3
SCHEMBL30906852 0.79 CCNE1 (0.52) CDK6CCND1CCNE1CDK2CCND3

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
WO-2024077216-A1 CDK INHIBITORS AND THEIR USE AS PHARMACEUTICALS PRELUDE THERAPEUTICS INCORPORATED (US) 2024-04-11 — — WO claimed
WO-2024077216-A1 CDK INHIBITORS AND THEIR USE AS PHARMACEUTICALS PRELUDE THERAPEUTICS INCORPORATED (US) 2024-04-11 — — WO disclosed
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