SCHEMBL16665767

SCHEMBL16665767

NC1CC2(C1)CC(Nc1ncc(Cl)c(-c3c[nH]c4ccccc34)n1)C2

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 14/20 0.64
▸ CCNK O75909 12/20 0.64
▸ CDK12 Q9NYV4 12/20 0.64
▸ CDK7 P50613 11/20 0.64
▸ CCNT1 O60563 10/20 0.64
▸ CDK9 P50750 10/20 0.64
▸ CCNH P51946 10/20 0.64
▸ CCNE1 P24864 8/20 0.64
▸ CRBN Q96SW2 1/20 0.64
▸ MNAT1 P51948 9/20 0.63
▸ JUN P05412 7/20 0.58
▸ MAPK8 P45983 7/20 0.58
▸ MAPK9 P45984 7/20 0.58
▸ MAPK10 P53779 4/20 0.58

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
SCHEMBL21026860 0.87 CCNK (0.72) CDK2CCNKCDK12CDK7CCNT1
SCHEMBL18074062 0.85 CDK7 (0.69) CDK2CCNKCDK12CDK7CCNT1
SCHEMBL16665609 0.85 CDK7 (0.69) CDK2CCNKCDK12CDK7CCNT1
SCHEMBL23336235 0.85 CDK7 (0.61) CDK2CCNKCDK12CDK7CCNT1
SCHEMBL16655427 0.83 CDK7 (0.78) CDK2CDK7JUNMAPK8MAPK9
SCHEMBL17150431 0.83 CDK7 (0.71) CDK2CCNKCDK12CDK7CCNT1
SCHEMBL25329765 0.83 CDK2 (0.83) CDK2CCNKCDK12CDK7CCNT1
SCHEMBL23336227 0.82 CDK2 (0.64) CDK2CCNKCDK12CDK7CCNT1
Hydrochloric Acid SCHEMBL19024483 0.82 CDK7 (0.70) CDK2CCNKCDK12CDK7CCNT1
SCHEMBL17141346 0.82 CDK2 (0.79) CDK2CCNKCDK12CDK7CCNT1

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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