SCHEMBL25593333

SCHEMBL25593333

Cn1cc(-c2cccc3c(-c4nc(N[C@H]5CCCN(C(=O)OC(C)(C)C)C5)ncc4C(F)(F)F)c[nH]c23)cn1

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 20/20 0.68
▸ CDK12 Q9NYV4 20/20 0.68
▸ CCNT1 O60563 19/20 0.68
▸ CDK9 P50750 19/20 0.68
▸ CDK7 P50613 6/20 0.68
▸ CCNH P51946 6/20 0.68
▸ MNAT1 P51948 4/20 0.68
▸ CCNE1 P24864 16/20 0.53
▸ CDK2 P24941 16/20 0.53

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
SCHEMBL25593295 0.91 CCNK (0.64) CCNKCDK12CCNT1CDK9CDK7
SCHEMBL25593648 0.90 CCNK (0.66) CCNKCDK12CCNT1CDK9CDK7
SCHEMBL25582183 0.88 CCNK (0.54) CCNKCDK12CCNT1CDK9CDK7
SCHEMBL27121866 0.88 CCNK (0.63) CCNKCDK12CCNT1CDK9CDK7
SCHEMBL29492509 0.88 CCNK (0.63) CCNKCDK12CCNT1CDK9CDK7
SCHEMBL25593261 0.88 CCNK (0.63) CCNKCDK12CCNT1CDK9CDK7
SCHEMBL24588967 0.86 CCNK (0.67) CCNKCDK12CCNT1CDK9CDK7
SCHEMBL29492498 0.86 CCNK (0.57) CCNKCDK12CCNT1CDK9CDK7
SCHEMBL26967452 0.86 CCNK (0.69) CCNKCDK12CCNT1CDK9CDK7
SCHEMBL29492494 0.86 CCNK (0.52) CCNKCDK12CCNT1CDK9CDK7

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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