SCHEMBL1404597

SCHEMBL1404597

Cc1ccc(C(=O)Nc2cc(C(C)(C)C)cc(C#N)c2[S+](C)[O-])cc1-n1cc(C(=O)NCC(C)(C)C)nn1

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BRAF P15056 18/20 0.35
GPR142 Q7Z601 1/20 0.33

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
SCHEMBL4466858 0.90 BRAF (0.36) BRAFGPR142
SCHEMBL1404764 0.89 BRAF (0.34) BRAFGPR142
SCHEMBL1378709 0.87 MAPK14 (0.39) BRAF
SCHEMBL1404614 0.85 BRAF (0.39) BRAFGPR142
SCHEMBL1405211 0.84 BRAF (0.37) BRAFGPR142
SCHEMBL1378181 0.81 BRAF (0.40) BRAFGPR142
SCHEMBL1379500 0.80 BRAF (0.39) BRAFGPR142
SCHEMBL1384086 0.80 BRAF (0.42) BRAFGPR142
SCHEMBL1379632 0.79 BRAF (0.39) BRAFGPR142
SCHEMBL1380853 0.79 BTK (0.41) BRAFGPR142

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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