SCHEMBL16665698

SCHEMBL16665698

CN(C)C/C=C/C(=O)Nc1ccc(C(=O)N2CCC(Nc3ncc(Cl)c(-c4cn(C=O)c5ccccc45)n3)CC2)cc1

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 18/20 0.70
▸ CDK12 Q9NYV4 17/20 0.70
▸ CDK7 P50613 16/20 0.70
▸ CCNH P51946 16/20 0.70
▸ CCNA2 P20248 12/20 0.70
▸ CDK2 P24941 12/20 0.70
▸ CDK9 P50750 11/20 0.70
▸ CDK13 Q14004 11/20 0.70
▸ CCNT1 O60563 10/20 0.70
▸ MNAT1 P51948 10/20 0.66
▸ CDK3 Q00526 1/20 0.66
▸ MAPK8 P45983 1/20 0.63
▸ MAPK9 P45984 1/20 0.63
▸ RPS6KA3 P51812 1/20 0.54

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
SCHEMBL16655058 0.89 CCNK (0.65) CCNKCDK12CDK7CCNHCCNA2
SCHEMBL16655057 0.89 CCNK (0.65) CCNKCDK12CDK7CCNHCCNA2
SCHEMBL16655001 0.86 CDK7 (0.92) CCNKCDK12CDK7CCNHCCNA2
SCHEMBL16654999 0.86 CDK7 (0.92) CCNKCDK12CDK7CCNHCCNA2
SCHEMBL18047433 0.83 CCNK (0.74) CCNKCDK12CDK7CCNHCCNA2
SCHEMBL16665751 0.83 CCNK (0.74) CCNKCDK12CDK7CCNHCCNA2
SCHEMBL16655207 0.82 CCNK (0.72) CCNKCDK12CDK7CCNHCCNA2
SCHEMBL16655209 0.82 CCNK (0.72) CCNKCDK12CDK7CCNHCCNA2
SCHEMBL16655206 0.82 CCNK (0.72) CCNKCDK12CDK7CCNHCCNA2
SCHEMBL16655208 0.82 CCNK (0.72) CCNKCDK12CDK7CCNHCCNA2

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-2015058163-A2 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) SYROS PHARMACEUTICALS, INC. (US) 2015-04-23 — — WO disclosed
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