SCHEMBL21178393

SCHEMBL21178393

Cc1noc(C)c1-c1ccc2c(-c3nc(N[C@@H]4CNC[C@H](O)C4)ncc3C(F)(F)F)cn(S(=O)(=O)c3ccccc3)c2n1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CDK7 P50613 15/20 0.53
CCNH P51946 15/20 0.53
CCNK O75909 14/20 0.53
CDK12 Q9NYV4 14/20 0.53
CCNE1 P24864 13/20 0.53
CDK2 P24941 13/20 0.53
CCNT1 O60563 11/20 0.53
CDK9 P50750 11/20 0.53
MNAT1 P51948 10/20 0.45

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
SCHEMBL21179249 0.89 CCNK (0.49) CDK7CCNHCCNKCDK12CCNE1
SCHEMBL24176433 0.89 CCNT1 (0.54) CDK7CCNHCCNKCDK12CCNE1
SCHEMBL21184433 0.89 CDK7 (0.55) CDK7CCNHCCNKCDK12CCNE1
SCHEMBL21184338 0.89 CDK7 (0.55) CDK7CCNHCCNKCDK12CCNE1
SCHEMBL21178337 0.89 CDK7 (0.44) CDK7CCNHCCNKCDK12CCNE1
SCHEMBL21188470 0.87 CDK7 (0.52) CDK7CCNHCCNKCDK12CCNE1
SCHEMBL30771937 0.87 CDK7 (0.46) CDK7CCNHCCNKCDK12CCNE1
SCHEMBL24176336 0.87 CDK7 (0.46) CDK7CCNHCCNKCDK12CCNE1
SCHEMBL24176480 0.86 CDK7 (0.47) CDK7CCNHCCNKCDK12CCNE1
SCHEMBL21179217 0.86 CDK7 (0.47) CDK7CCNHCCNKCDK12CCNE1

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