SCHEMBL1377086

SCHEMBL1377086

COc1c(CN(C)CCN(C)C)cc(C(C)(C)C)cc1NC(=O)c1ccc(C)c(-n2cc(C(=O)NCC(C)(C)C)nn2)c1

nearest known ligand 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BRAF P15056 17/20 0.40
NR1I2 O75469 2/20 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
SCHEMBL1404498 0.94 BRAF (0.38) BRAF
SCHEMBL4462221 0.92 BRAF (0.42) BRAFNR1I2
SCHEMBL1404695 0.90 BRAF (0.39) BRAFNR1I2
SCHEMBL1378181 0.88 BRAF (0.40) BRAFNR1I2
SCHEMBL1380367 0.87 BRAF (0.38) BRAF
SCHEMBL1404739 0.87 BRAF (0.38) BRAF
SCHEMBL1379672 0.87 BRAF (0.41) BRAFNR1I2
SCHEMBL13920695 0.86 BRAF (0.40) BRAF
SCHEMBL1404706 0.85 BRAF (0.38) BRAF
SCHEMBL1380031 0.85 TUBB4A (0.41) BRAFNR1I2

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
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
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