SCHEMBL8388860

SCHEMBL8388860

COc1ccc(-c2ccc(-c3nc(-c4ccc(Cl)cc4)[nH]c3-c3ccncc3)cc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 12/20 0.77
MAPK12 P53778 12/20 0.77
MAPK11 Q15759 12/20 0.77
MAPK14 Q16539 12/20 0.77
GCGR P47871 10/20 0.77
RAF1 P04049 4/20 0.77
ALOX5 P09917 1/20 0.75
NOX1 Q9Y5S8 1/20 0.64
TGFBR1 P36897 1/20 0.60
TEK Q02763 2/20 0.58
TP53 P04637 2/20 0.58
MAPT P10636 2/20 0.58

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
SCHEMBL6469323 0.99 MAPK13 (0.79) MAPK13MAPK12MAPK11MAPK14GCGR
SCHEMBL6164173 0.99 MAPK13 (0.79) MAPK13MAPK12MAPK11MAPK14GCGR
SCHEMBL6464698 0.92 NOX1 (0.74) MAPK13MAPK12MAPK11MAPK14GCGR
SCHEMBL15075611 0.92 MAPK13 (0.89) MAPK13MAPK12MAPK11MAPK14GCGR
SCHEMBL2649730 0.88 MAPK13 (1.00) MAPK13MAPK12MAPK11MAPK14GCGR
SCHEMBL6471005 0.88 MAPK13 (1.00) MAPK13MAPK12MAPK11MAPK14GCGR
SCHEMBL6469341 0.87 MAPK13 (1.00) MAPK13MAPK12MAPK11MAPK14GCGR
SCHEMBL2648503 0.86 MAPK11 (1.00) MAPK13MAPK12MAPK11MAPK14GCGR
SCHEMBL6467858 0.85 MAPK14 (0.74) MAPK13MAPK12MAPK11MAPK14GCGR
SCHEMBL15400824 0.85 NOX1 (0.85) MAPK13MAPK12MAPK11MAPK14GCGR

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-5955480-A GLUCAGON RECEPTOR ANTAGONISTS, CYTOKINE INHIBITORS MERCK & CO., INC. (US) 1999-09-21 US disclosed