SCHEMBL25599838

SCHEMBL25599838

Cn1ccc(-c2ccc3c(-c4nc(NC5CCCN(C(=O)OC(C)(C)C)C5)ncc4C(F)(F)F)c[nH]c3c2)n1

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 19/20 0.68
▸ CDK12 Q9NYV4 19/20 0.68
▸ CCNE1 P24864 15/20 0.68
▸ CDK2 P24941 15/20 0.68
▸ CCNT1 O60563 13/20 0.68
▸ CDK9 P50750 13/20 0.68
▸ CDK7 P50613 9/20 0.57
▸ CCNH P51946 9/20 0.57
▸ MNAT1 P51948 9/20 0.57

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
SCHEMBL30204046 1.00 CCNK (0.68) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL25599450 0.92 CCNK (0.68) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL30204088 0.92 CCNK (0.68) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL25597283 0.90 CCNK (0.69) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL30204114 0.90 CCNK (0.69) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL25596425 0.90 CCNK (0.64) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL30204103 0.90 CCNK (0.64) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL25599524 0.89 CCNK (0.66) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL30204157 0.88 CCNK (0.58) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL24087355 0.88 CDK7 (0.55) 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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