SCHEMBL5735855

SCHEMBL5735855

CC(C)(C)c1cc(NC(=O)Nc2ccc(Cc3ccncc3)cc2)n(-c2cc(Cl)ccc2Cl)n1

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 16/20 0.68
MAPK11 Q15759 5/20 0.68
ERBB2 P04626 1/20 0.68
MAPK13 O15264 4/20 0.57
MAPK12 P53778 4/20 0.57
BACE1 P56817 1/20 0.55
MAPT P10636 1/20 0.55
DDR2 Q16832 2/20 0.55
MAPK9 P45984 1/20 0.55
PTK2 Q05397 1/20 0.55
SRC P12931 1/20 0.53

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
SCHEMBL938163 0.86 MAPK14 (0.70) MAPK14MAPK11ERBB2MAPK13MAPK12
SCHEMBL5732952 0.85 MAPK14 (0.78) MAPK14MAPK11ERBB2MAPK13MAPK12
SCHEMBL938855 0.83 MAPK14 (0.75) MAPK14MAPK11ERBB2MAPK13MAPK12
SCHEMBL4594410 0.82 MAPK14 (0.82) MAPK14MAPK11ERBB2MAPK13MAPK12
SCHEMBL524524 0.82 MAPK14 (1.00) MAPK14MAPK11ERBB2MAPK13MAPK12
SCHEMBL937570 0.81 MAPK14 (0.71) MAPK14MAPK11ERBB2MAPK13MAPK12
SCHEMBL937420 0.79 MAPK14 (0.68) MAPK14MAPK11ERBB2MAPK13MAPK12
SCHEMBL937277 0.79 MAPK14 (0.74) MAPK14MAPK11ERBB2MAPK13MAPK12
SCHEMBL937765 0.79 MAPK14 (0.67) MAPK14MAPK11ERBB2MAPK13MAPK12
SCHEMBL937745 0.78 MAPK14 (0.66) MAPK14MAPK11ERBB2MAPK13MAPK12

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
EP-1056725-B1 INHIBITION OF RAF KINASE USING ARYL AND HETEROARYL SUBSTITUTED HETEROCYCLIC UREAS BAYER PHARMACEUTICALS CORP (US) 2006-06-07 EP claimed