SCHEMBL30906803

SCHEMBL30906803

C[C@@H]1CN(S(=O)(=O)c2c[nH]cn2)CC[C@@H]1Nc1ncc(C(F)(F)F)c(-c2cc(C#N)c(C(C)(C)O)s2)n1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CCNE1 P24864 16/20 0.37
▸ CDK2 P24941 16/20 0.37
▸ CDK4 P11802 12/20 0.37
▸ CCND1 P24385 12/20 0.37
▸ CCND3 P30281 12/20 0.37
▸ CDK6 Q00534 12/20 0.37
▸ CDK7 P50613 11/20 0.37
▸ CCNH P51946 11/20 0.37
▸ CDK1 P06493 10/20 0.37
▸ CCNB1 P14635 10/20 0.37
▸ MNAT1 P51948 10/20 0.37
▸ CCNT1 O60563 10/20 0.37
▸ CDK9 P50750 10/20 0.37
▸ CCNK O75909 4/20 0.34
▸ CDK12 Q9NYV4 4/20 0.34

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
SCHEMBL27213156 1.00 CCNE1 (0.37) CCNE1CDK2CDK4CCND1CCND3
SCHEMBL27213105 0.91 CCNE1 (0.39) CCNE1CDK2CDK4CCND1CCND3
SCHEMBL30906812 0.91 CCNE1 (0.39) CCNE1CDK2CDK4CCND1CCND3
SCHEMBL27213121 0.90 CCNE1 (0.48) CCNE1CDK2CDK4CCND1CCND3
SCHEMBL30906791 0.89 CDK4 (0.39) CCNE1CDK2CDK4CCND1CCND3
SCHEMBL27213217 0.89 CDK4 (0.39) CCNE1CDK2CDK4CCND1CCND3
SCHEMBL27213284 0.88 CDK2 (0.48) CCNE1CDK2CDK4CCND1CCND3
SCHEMBL30906832 0.82 CDK2 (0.38) CCNE1CDK2CDK4CCND1CCND3
SCHEMBL27213227 0.82 CDK2 (0.38) CCNE1CDK2CDK4CCND1CCND3
SCHEMBL25435292 0.82 CDK4 (0.40) CCNE1CDK2CDK4CCND1CCND3

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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