SCHEMBL1379672

SCHEMBL1379672

COc1c(NC(=O)c2ccc(C)c(-n3cc(C(=O)NCC(C)(C)C)nn3)c2)cc(C(C)(C)C)cc1C(=O)NCCN(C)C

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BRAF P15056 14/20 0.41
GSK3A P49840 3/20 0.37
SRC P12931 2/20 0.37
SYK P43405 2/20 0.37
MAPK14 Q16539 2/20 0.37
ACKR3 P25106 1/20 0.34
NR1I2 O75469 1/20 0.34

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
SCHEMBL4471727 0.92 BRAF (0.43) BRAFGSK3ASRCSYKMAPK14
SCHEMBL1404842 0.90 BRAF (0.40) BRAFGSK3ASRCSYKMAPK14
SCHEMBL1384412 0.88 BRAF (0.37) BRAFMAPK14NR1I2
SCHEMBL1378181 0.88 BRAF (0.40) BRAFNR1I2
SCHEMBL5635761 0.87 BRAF (0.51) BRAFSRCSYKMAPK14
SCHEMBL1404498 0.87 BRAF (0.38) BRAF
SCHEMBL1377086 0.87 BRAF (0.40) BRAFNR1I2
SCHEMBL1380031 0.86 TUBB4A (0.41) BRAFNR1I2
SCHEMBL6807093 0.85 BRAF (0.49) BRAFMAPK14
SCHEMBL1404706 0.85 BRAF (0.38) BRAF

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4824576-B2 2011-11-30 JP claimed
EP-1692116-B1 1,2,3-TRIAZOLE AMIDE DERIVATIVES AS INHIBITORS OF CYTOKINE PRODUCTION BOEHRINGER INGELHEIM PHARMA (US) 2011-03-09 EP claimed
EP-1692116-B1 1,2,3-TRIAZOLE AMIDE DERIVATIVES AS INHIBITORS OF CYTOKINE PRODUCTION BOEHRINGER INGELHEIM PHARMA (US) 2011-03-09 EP disclosed
EP-1692116-B1 1,2,3-TRIAZOLE AMIDE DERIVATIVES AS INHIBITORS OF CYTOKINE PRODUCTION BOEHRINGER INGELHEIM PHARMA (US) 2011-03-09 EP disclosed
US-7511042-B2 1-[5-(5-tert-Butyl-2-methoxy-3-methylsulfamoyl-phenylcarbamoyl)-2-methyl-phenyl]-1H-1,2,3-triazole-4-carboxylic acid (2,2-dimethyl-propyl)-amide; small molecule cytokine inhibitor; optimized efficacy, pharmacokinetic; antiinflammatory agent, osteoarthritis, asthma, gastrointestinal, respiratory disorder BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-03-31 US disclosed
US-7511042-B2 1-[5-(5-tert-Butyl-2-methoxy-3-methylsulfamoyl-phenylcarbamoyl)-2-methyl-phenyl]-1H-1,2,3-triazole-4-carboxylic acid (2,2-dimethyl-propyl)-amide; small molecule cytokine inhibitor; optimized efficacy, pharmacokinetic; antiinflammatory agent, osteoarthritis, asthma, gastrointestinal, respiratory disorder BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-03-31 US disclosed