SCHEMBL21179249

SCHEMBL21179249

Cc1nocc1-c1ccc2c(-c3nc(N[C@@H]4CNC[C@H](O)C4)ncc3C(F)(F)F)cn(S(=O)(=O)c3ccccc3)c2n1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCNK O75909 13/20 0.49
CDK12 Q9NYV4 13/20 0.49
CCNE1 P24864 13/20 0.49
CDK2 P24941 13/20 0.49
CCNT1 O60563 12/20 0.49
CDK9 P50750 12/20 0.49
CDK7 P50613 14/20 0.44
CCNH P51946 14/20 0.44
MNAT1 P51948 10/20 0.44

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
SCHEMBL21178393 0.89 CDK7 (0.53) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL21178787 0.88 CCNK (0.37) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL29509214 0.86 CDK7 (0.36) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL21178915 0.84 CDK7 (0.38) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL21178696 0.81 CDK7 (0.38) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL29509178 0.81 CDK7 (0.36) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL29872781 0.81 CDK7 (0.36) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL21178695 0.81 CDK7 (0.36) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL21178662 0.80 CCNK (0.62) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL29872594 0.80 CCNK (0.62) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3740207-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) Syros Pharmaceuticals, Inc. (US) 2020-11-25 EP disclosed
WO-2019143719-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) SYROS PHARMACEUTICALS, INC. (US) 2019-07-25 WO disclosed