SCHEMBL30906787

SCHEMBL30906787

CS(=O)(=O)N1CC[C@@H](Nc2ncc(C(F)(F)F)c(-c3cc(C(N)=O)cs3)n2)[C@H](F)C1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CCNE1 P24864 17/20 0.48
▸ CDK2 P24941 17/20 0.48
▸ CDK6 Q00534 16/20 0.48
▸ CCND1 P24385 15/20 0.48
▸ CCND3 P30281 5/20 0.47
▸ CDK4 P11802 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
SCHEMBL27213161 1.00 CCNE1 (0.48) CCNE1CDK2CDK6CCND1CCND3
SCHEMBL30906889 1.00 CCNE1 (0.48) CCNE1CDK2CDK6CCND1CCND3
SCHEMBL27213149 1.00 CCNE1 (0.48) CCNE1CDK2CDK6CCND1CCND3
SCHEMBL27213229 0.92 CDK6 (0.47) CCNE1CDK2CDK6CCND1CCND3
SCHEMBL30906884 0.92 CDK6 (0.47) CCNE1CDK2CDK6CCND1CCND3
SCHEMBL27213108 0.88 CCNE1 (0.50) CCNE1CDK2CDK6CCND1CCND3
SCHEMBL30906872 0.88 CCNE1 (0.50) CCNE1CDK2CDK6CCND1CCND3
SCHEMBL27213239 0.88 CCNE1 (0.50) CCNE1CDK2CDK6CCND1CCND3
SCHEMBL30906879 0.88 CCNE1 (0.50) CCNE1CDK2CDK6CCND1CCND3
SCHEMBL30906854 0.88 CDK2 (0.58) CCNE1CDK2CDK6CCND1CCND3

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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