SCHEMBL4946702

SCHEMBL4946702

Cc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)C(=O)c2ccc(Br)c3ccccc23)c1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 19/20 0.60
MAPK13 O15264 9/20 0.60
MAPK12 P53778 9/20 0.60
MAPK11 Q15759 9/20 0.60
CDK8 P49336 7/20 0.57
MAPK9 P45984 5/20 0.57
DDR2 Q16832 4/20 0.55
CSNK1A1 P48729 2/20 0.52
CDK5 Q00535 1/20 0.51
SRC P12931 1/20 0.49
LIMK1 P53667 1/20 0.49

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
SCHEMBL1599888 0.83 MAPK14 (0.58) MAPK14MAPK13MAPK12MAPK11CDK8
SCHEMBL1599769 0.82 MAPK14 (0.64) MAPK14MAPK13MAPK12MAPK11CDK8
SCHEMBL1599505 0.78 MAPK14 (0.88) MAPK14MAPK13MAPK12MAPK11CDK8
SCHEMBL4950833 0.77 MAPK14 (0.49) MAPK14MAPK13MAPK12MAPK11CDK8
SCHEMBL371224 0.77 MAPK14 (0.74) MAPK14MAPK13MAPK12MAPK11CDK8
SCHEMBL1600301 0.75 MAPK14 (0.54) MAPK14MAPK13MAPK12MAPK11CDK8
SCHEMBL1012411 0.73 MAPK14 (0.71) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL1599997 0.72 MAPK14 (0.65) MAPK14MAPK13MAPK12MAPK11CDK8
SCHEMBL1599740 0.72 MAPK14 (0.69) MAPK14MAPK13MAPK12MAPK11CDK8
SCHEMBL1012719 0.72 MAPK13 (0.78) MAPK14MAPK13MAPK12MAPK11CDK8

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