SCHEMBL30439784

SCHEMBL30439784

CCOP(C)(=O)c1cccc2c(-c3nc(N[C@H]4CCCN(C(=O)OC(C)(C)C)C4)ncc3C(F)(F)F)c[nH]c12

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 15/20 0.70
▸ CCNK O75909 15/20 0.70
▸ CDK12 Q9NYV4 14/20 0.70
▸ CCNT1 O60563 13/20 0.70
▸ CDK9 P50750 13/20 0.70
▸ CCNE1 P24864 12/20 0.70
▸ CDK7 P50613 8/20 0.61
▸ CCNH P51946 8/20 0.61
▸ MNAT1 P51948 6/20 0.61
▸ CCNA2 P20248 1/20 0.48
▸ CDK13 Q14004 1/20 0.48
▸ JUN P05412 2/20 0.47
▸ MAPK8 P45983 2/20 0.47
▸ MAPK9 P45984 2/20 0.47
▸ MAPK10 P53779 2/20 0.47

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
SCHEMBL24588967 0.93 CCNK (0.67) CDK2CCNKCDK12CCNT1CDK9
SCHEMBL25593526 0.92 CDK2 (0.57) CDK2CCNKCDK12CCNT1CDK9
SCHEMBL25593261 0.87 CCNK (0.63) CDK2CCNKCDK12CCNT1CDK9
SCHEMBL27121866 0.87 CCNK (0.63) CDK2CCNKCDK12CCNT1CDK9
SCHEMBL25582183 0.87 CCNK (0.54) CDK2CCNKCDK12CCNT1CDK9
SCHEMBL29492509 0.87 CCNK (0.63) CDK2CCNKCDK12CCNT1CDK9
SCHEMBL25593295 0.85 CCNK (0.64) CDK2CCNKCDK12CCNT1CDK9
SCHEMBL29492498 0.85 CCNK (0.57) CDK2CCNKCDK12CCNT1CDK9
SCHEMBL25594008 0.84 CCNK (0.70) CDK2CCNKCDK12CCNT1CDK9
SCHEMBL29492494 0.84 CCNK (0.52) CDK2CCNKCDK12CCNT1CDK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4295852-A2 PIPERIDINE DERIVATIVES AS INHIBITORS OF CYCLIN DEPENDENT KINASE 7 (CDK7) Syros Pharmaceuticals, Inc. (US) 2023-12-27 — — EP disclosed
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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