SCHEMBL25597283

SCHEMBL25597283

Cc1nc(-c2ccc3c(-c4nc(N[C@H]5CCCN(C(=O)OC(C)(C)C)C5)ncc4C(F)(F)F)c[nH]c3c2)nn1C

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 19/20 0.69
▸ CDK12 Q9NYV4 19/20 0.69
▸ CCNE1 P24864 13/20 0.69
▸ CDK2 P24941 13/20 0.69
▸ CCNT1 O60563 11/20 0.56
▸ CDK9 P50750 11/20 0.56
▸ CDK7 P50613 7/20 0.56
▸ CCNH P51946 7/20 0.56
▸ MNAT1 P51948 7/20 0.56

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
SCHEMBL30204114 1.00 CCNK (0.69) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL25599838 0.90 CCNK (0.68) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL30204046 0.90 CCNK (0.68) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL29509144 0.89 CDK7 (0.55) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL24087355 0.89 CDK7 (0.55) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL25596425 0.88 CCNK (0.64) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL30204103 0.88 CCNK (0.64) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL25602582 0.87 CCNK (0.67) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL30204002 0.87 CCNK (0.67) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL30204088 0.87 CCNK (0.68) CCNKCDK12CCNE1CDK2CCNT1

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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