SCHEMBL17688400

SCHEMBL17688400

CC1(NC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)CCCC(Nc2ncc(Cl)c(-c3cn(S(=O)(=O)c4ccccc4)c4ccccc34)n2)C1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CDK7 P50613 16/20 0.47
▸ CCNH P51946 13/20 0.47
▸ CDK9 P50750 12/20 0.47
▸ CCNT1 O60563 11/20 0.47
▸ CCNK O75909 9/20 0.47
▸ CDK12 Q9NYV4 9/20 0.47
▸ MNAT1 P51948 8/20 0.47
▸ CDK2 P24941 6/20 0.47
▸ HTR6 P50406 3/20 0.38
▸ CCNE1 P24864 1/20 0.38
▸ EGFR P00533 1/20 0.37
▸ CDK13 Q14004 7/20 0.37
▸ CCNA2 P20248 4/20 0.37
▸ CDK3 Q00526 1/20 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
SCHEMBL16654932 0.92 CDK7 (0.48) CDK7CCNHCDK9CCNT1CCNK
SCHEMBL16655068 0.87 CDK7 (0.53) CDK7CCNHCDK9CCNT1CCNK
SCHEMBL16655066 0.87 CDK7 (0.53) CDK7CCNHCDK9CCNT1CCNK
SCHEMBL18074072 0.86 CDK7 (0.49) CDK7CCNHCDK9CCNT1CCNK
SCHEMBL21397489 0.86 CDK7 (0.49) CDK7CCNHCDK9CCNT1CCNK
SCHEMBL21397206 0.86 CDK7 (0.49) CDK7CCNHCDK9CCNT1CCNK
SCHEMBL16665647 0.86 CDK7 (0.49) CDK7CCNHCDK9CCNT1CCNK
SCHEMBL17688419 0.84 CDK7 (0.42) CDK7CCNHCDK9CCNT1CCNK
SCHEMBL16655064 0.84 CCNK (0.52) CDK7CCNHCDK9CCNT1CCNK
SCHEMBL17688399 0.84 CDK7 (0.43) CDK7CCNHCDK9CCNT1CCNK

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-2016058544-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) SYROS PHARMACEUTICALS, INC. (US) 2016-04-21 — — WO disclosed
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