SCHEMBL5733448

SCHEMBL5733448

CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccccc3)cc2)n(-c2cccc([N+](=O)[O-])c2)n1

nearest known ligand 0.84

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 16/20 0.84
DDR2 Q16832 3/20 0.77
MAPK13 O15264 11/20 0.67
MAPK12 P53778 10/20 0.67
MAPK11 Q15759 10/20 0.67
ABL1 P00519 3/20 0.67
KIT P10721 3/20 0.67

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
SCHEMBL12245436 0.92 MAPK14 (1.00) MAPK14DDR2MAPK13MAPK12MAPK11
SCHEMBL12245435 0.87 MAPK14 (1.00) MAPK14DDR2MAPK13MAPK12MAPK11
SCHEMBL3300214 0.87 MAPK14 (0.84) MAPK14DDR2MAPK13MAPK12MAPK11
SCHEMBL2082226 0.86 MAPK14 (0.77) MAPK14DDR2MAPK13MAPK12MAPK11
SCHEMBL5733636 0.86 MAPK14 (0.81) MAPK14DDR2MAPK13MAPK12MAPK11
SCHEMBL4465314 0.85 MAPK14 (0.83) MAPK14DDR2MAPK13MAPK12MAPK11
SCHEMBL938408 0.84 MAPK14 (0.74) MAPK14DDR2MAPK13MAPK12MAPK11
SCHEMBL16866510 0.83 MAPK13 (0.83) MAPK14MAPK13MAPK12MAPK11
SCHEMBL1410153 0.83 MAPK13 (0.79) MAPK14DDR2MAPK13MAPK12MAPK11
SCHEMBL5733849 0.82 MAPK14 (0.75) MAPK14DDR2MAPK13MAPK12MAPK11

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