SCHEMBL30906836

SCHEMBL30906836

Cc1sc(-c2nc(N[C@H]3CCN(S(C)(=O)=O)C[C@H]3F)ncc2C(F)(F)F)cc1C(N)=O

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CCNE1 P24864 18/20 0.48
▸ CDK2 P24941 18/20 0.48
▸ CCND1 P24385 15/20 0.48
▸ CDK6 Q00534 15/20 0.48
▸ CDK4 P11802 4/20 0.47
▸ CCND3 P30281 4/20 0.47
▸ CDK1 P06493 3/20 0.42
▸ CCNB1 P14635 3/20 0.42

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
SCHEMBL27213106 1.00 CCNE1 (0.48) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL30906811 1.00 CCNE1 (0.48) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL27213176 1.00 CCNE1 (0.48) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL30906831 0.92 CCND3 (0.47) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL27213155 0.92 CCND3 (0.47) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL27213141 0.88 CDK2 (0.49) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL30906828 0.88 CDK2 (0.49) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL27213276 0.88 CDK2 (0.49) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL30906891 0.88 CDK2 (0.49) CCNE1CDK2CCND1CDK6CDK4
SCHEMBL30906818 0.88 CDK2 (0.59) CCNE1CDK2CCND1CDK6CDK4

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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