SCHEMBL21184435

SCHEMBL21184435

Cc1noc(C)c1-c1ccc2c(-c3nc(NC4CCCC4N4CC(F)C4)ncc3C(F)(F)F)cn(S(=O)(=O)c3ccccc3)c2n1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CDK7 P50613 11/20 0.45
CCNH P51946 11/20 0.45
CCNK O75909 8/20 0.45
CDK12 Q9NYV4 8/20 0.45
CCNE1 P24864 7/20 0.45
CDK2 P24941 7/20 0.45
CCNT1 O60563 6/20 0.45
CDK9 P50750 6/20 0.45
BRD4 O60885 7/20 0.37
MNAT1 P51948 7/20 0.37

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
SCHEMBL24176256 1.00 CDK7 (0.45) CDK7CCNHCCNKCDK12CCNE1
SCHEMBL24176435 1.00 CDK7 (0.45) CDK7CCNHCCNKCDK12CCNE1
SCHEMBL24176248 0.96 CDK7 (0.44) CDK7CCNHCCNKCDK12CCNE1
SCHEMBL24176338 0.94 CDK7 (0.45) CDK7CCNHCCNKCDK12CCNE1
SCHEMBL21184601 0.94 CDK7 (0.45) CDK7CCNHCCNKCDK12CCNE1
SCHEMBL24176293 0.94 CDK7 (0.45) CDK7CCNHCCNKCDK12CCNE1
SCHEMBL21178765 0.93 CDK7 (0.44) CDK7CCNHCCNKCDK12CCNE1
SCHEMBL21184440 0.93 CDK7 (0.44) CDK7CCNHCCNKCDK12CCNE1
SCHEMBL30771923 0.93 CDK7 (0.44) CDK7CCNHCCNKCDK12CCNE1
SCHEMBL27162475 0.93 CDK7 (0.44) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019143730-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) SYROS PHARMACEUTICALS, INC. (US) 2019-07-25 WO disclosed