SCHEMBL30906884

SCHEMBL30906884

C[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1Nc1ncc(C(F)(F)F)c(-c2cc(C(N)=O)cs2)n1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CDK6 Q00534 12/20 0.47
▸ CCND3 P30281 11/20 0.47
▸ CCND1 P24385 11/20 0.47
▸ CDK4 P11802 10/20 0.47
▸ CCNE1 P24864 14/20 0.44
▸ CDK2 P24941 14/20 0.44
▸ CDK1 P06493 7/20 0.42
▸ CCNB1 P14635 7/20 0.42
▸ MAPK3 P27361 1/20 0.41

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
SCHEMBL27213229 1.00 CDK6 (0.47) CDK6CCND3CCND1CDK4CCNE1
SCHEMBL27213161 0.92 CCNE1 (0.48) CDK6CCND3CCND1CDK4CCNE1
SCHEMBL30906889 0.92 CCNE1 (0.48) CDK6CCND3CCND1CDK4CCNE1
SCHEMBL27213149 0.92 CCNE1 (0.48) CDK6CCND3CCND1CDK4CCNE1
SCHEMBL30906787 0.92 CCNE1 (0.48) CDK6CCND3CCND1CDK4CCNE1
SCHEMBL30906883 0.88 CCNE1 (0.38) CDK6CCND3CCND1CDK4CCNE1
SCHEMBL30906842 0.88 CDK2 (0.50) CDK6CCND3CCND1CDK4CCNE1
SCHEMBL27213255 0.88 CCNE1 (0.38) CDK6CCND3CCND1CDK4CCNE1
SCHEMBL27213124 0.88 CDK2 (0.50) CDK6CCND3CCND1CDK4CCNE1
SCHEMBL30906854 0.88 CDK2 (0.58) CDK6CCND3CCND1CDK4CCNE1

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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