SCHEMBL13923906

SCHEMBL13923906

C=C(Cc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(Cl)cc2)c1)C(=O)O

nearest known ligand 0.80

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 18/20 0.80
MAPK13 O15264 5/20 0.71
MAPK12 P53778 5/20 0.71
MAPK11 Q15759 5/20 0.71
DDR2 Q16832 4/20 0.70
MAPK9 P45984 1/20 0.70
SRC P12931 1/20 0.68
RAF1 P04049 1/20 0.59
BRAF P15056 1/20 0.59
EPHB2 P29323 1/20 0.59

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
SCHEMBL4303670 0.91 MAPK14 (0.86) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL3185693 0.89 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL2082430 0.87 MAPK14 (0.82) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL2616997 0.87 MAPK14 (0.82) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL2085734 0.86 MAPK14 (0.86) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL3294236 0.85 MAPK14 (0.77) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL4263729 0.85 MAPK14 (0.81) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL2081374 0.85 MAPK14 (0.84) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL2081795 0.85 MAPK14 (0.79) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL3294796 0.85 MAPK14 (0.75) MAPK14MAPK13MAPK12MAPK11DDR2

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
US-8802053-B2 Radio-methyl vorozole and methods for making and using the same BROOKHAVEN SCIENCE ASSOCIATES, LLC (US) 2014-08-12 US disclosed