SCHEMBL4950833

SCHEMBL4950833

Cc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)C(=O)c2ccc(Nc3ccnc(N4CCCC4)n3)c3ccccc23)c1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 19/20 0.49
CDK8 P49336 7/20 0.49
MAPK9 P45984 5/20 0.49
MAPK13 O15264 3/20 0.46
MAPK12 P53778 3/20 0.46
MAPK11 Q15759 3/20 0.46
CSNK1A1 P48729 2/20 0.45
CDK5 Q00535 1/20 0.44
DDR2 Q16832 2/20 0.44
LIMK1 P53667 1/20 0.43

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
SCHEMBL1600301 0.94 MAPK14 (0.54) MAPK14CDK8MAPK9MAPK13MAPK12
SCHEMBL1598985 0.87 MAPK14 (0.61) MAPK14CDK8MAPK9MAPK13MAPK12
SCHEMBL1601140 0.86 MAPK14 (0.51) MAPK14CDK8MAPK9MAPK13MAPK12
SCHEMBL1599290 0.81 MAPK14 (0.59) MAPK14CDK8MAPK9MAPK13MAPK12
SCHEMBL1599053 0.79 MAPK14 (0.57) MAPK14CDK8MAPK9MAPK13MAPK12
SCHEMBL4946702 0.77 MAPK14 (0.60) MAPK14CDK8MAPK9MAPK13MAPK12
SCHEMBL1600323 0.76 MAPK14 (0.63) MAPK14CDK8MAPK9MAPK13MAPK12
SCHEMBL4944531 0.75 MAPK14 (0.54) MAPK14
SCHEMBL1600345 0.74 MAPK14 (0.53) MAPK14CDK8MAPK9MAPK13MAPK12
SCHEMBL4944631 0.74 MAPK14 (0.52) MAPK14

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-2008089034-A2 CYTOKINE INHIBITORS KEMIA, INC. (US) 2008-07-24 WO disclosed