SCHEMBL30439451

SCHEMBL30439451

C[Si](C)(C)CCOCn1cc(-c2nc(NC3CC(F)CN(C(=O)O)C3)ncc2C(F)(F)F)c2ccc(C#N)cc21

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CDK7 P50613 14/20 0.46
▸ CCNH P51946 14/20 0.46
▸ MNAT1 P51948 13/20 0.46
▸ CCNK O75909 12/20 0.46
▸ CDK12 Q9NYV4 12/20 0.46
▸ CCNT1 O60563 8/20 0.42
▸ CDK9 P50750 8/20 0.42
▸ CCNE1 P24864 7/20 0.42
▸ CDK2 P24941 7/20 0.42
▸ CDK1 P06493 1/20 0.39
▸ CDK4 P11802 1/20 0.39
▸ CCNB1 P14635 1/20 0.39
▸ CCND1 P24385 1/20 0.39
▸ CCND3 P30281 1/20 0.39
▸ CDK6 Q00534 1/20 0.39

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
SCHEMBL25435909 1.00 CDK7 (0.46) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL25435914 1.00 CDK7 (0.46) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL30203988 0.91 CDK7 (0.43) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL25601729 0.87 CDK7 (0.62) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL30204135 0.87 CDK7 (0.62) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL21184406 0.85 CDK7 (0.53) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL21184593 0.85 CDK7 (0.53) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL30203944 0.84 CDK7 (0.44) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL24087388 0.84 CCNK (0.49) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL29509168 0.84 CCNK (0.49) CDK7CCNHMNAT1CCNKCDK12

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3484871-B1 PIPERIDINE DERIVATIVES AS INHIBITORS OF CYCLIN DEPENDENT KINASE 7 (CDK7) SYROS PHARMACEUTICALS INC (US) 2023-06-07 — — EP disclosed
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