SCHEMBL25601729

SCHEMBL25601729

C[Si](C)(C)CCOCn1cc(-c2nc(N[C@@H]3CNC[C@@H](F)C3)ncc2C(F)(F)F)c2ccc(C#N)cc21

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CDK7 P50613 13/20 0.62
▸ CCNH P51946 13/20 0.62
▸ CCNK O75909 13/20 0.62
▸ CDK12 Q9NYV4 13/20 0.62
▸ MNAT1 P51948 12/20 0.62
▸ CCNT1 O60563 7/20 0.49
▸ CDK9 P50750 7/20 0.49
▸ CCNE1 P24864 6/20 0.48
▸ CDK2 P24941 6/20 0.48

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
SCHEMBL30204135 1.00 CDK7 (0.62) CDK7CCNHCCNKCDK12MNAT1
SCHEMBL21184406 0.89 CDK7 (0.53) CDK7CCNHCCNKCDK12MNAT1
SCHEMBL21184593 0.89 CDK7 (0.53) CDK7CCNHCCNKCDK12MNAT1
SCHEMBL25435914 0.87 CDK7 (0.46) CDK7CCNHCCNKCDK12MNAT1
SCHEMBL25435909 0.87 CDK7 (0.46) CDK7CCNHCCNKCDK12MNAT1
SCHEMBL30439451 0.87 CDK7 (0.46) CDK7CCNHCCNKCDK12MNAT1
SCHEMBL21184557 0.84 CDK7 (0.51) CDK7CCNHCCNKCDK12MNAT1
SCHEMBL21184417 0.84 CCNK (0.46) CDK7CCNHCCNKCDK12MNAT1
SCHEMBL24176265 0.84 CDK7 (0.45) CDK7CCNHCCNKCDK12MNAT1
SCHEMBL30203988 0.83 CDK7 (0.43) CDK7CCNHCCNKCDK12MNAT1

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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