SCHEMBL1380404

SCHEMBL1380404

COc1c(CCN2CCOCC2)cc(C(C)(C)C)cc1NC(=O)c1ccc(C)c(-n2cc(C(=O)NCC(C)(C)C)nn2)c1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BRAF P15056 14/20 0.44
NR1I2 O75469 2/20 0.39
STK25 O00506 1/20 0.39
CNR2 P34972 1/20 0.38
ABL1 P00519 1/20 0.38
BCR P11274 1/20 0.38
GSK3A P49840 1/20 0.37

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
SCHEMBL1381107 0.93 BRAF (0.44) BRAFSTK25CNR2ABL1BCR
SCHEMBL4469131 0.92 BRAF (0.46) BRAFNR1I2STK25ABL1BCR
SCHEMBL1404819 0.90 BRAF (0.42) BRAFNR1I2STK25ABL1BCR
SCHEMBL5791150 0.90 BRAF (0.43) BRAFNR1I2STK25ABL1BCR
Pivalamide SCHEMBL5791142 0.89 BRAF (0.43) BRAFNR1I2STK25ABL1BCR
SCHEMBL1378235 0.87 ABL1 (0.45) BRAFABL1BCR
SCHEMBL1379394 0.86 BRAF (0.36) BRAF
SCHEMBL1378181 0.86 BRAF (0.40) BRAFNR1I2
SCHEMBL1378968 0.85 BRAF (0.46) BRAFSTK25CNR2ABL1BCR
SCHEMBL4471194 0.85 BRAF (0.46) BRAFSTK25ABL1BCR

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 7 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
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
EP-1692116-A1 1,2,3-TRIAZOLE AMIDE DERIVATIVES AS INHIBITORS OF CYTOKINE PRODUCTION BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2006-08-23 EP disclosed
WO-2005056535-A1 1,2,3-TRIAZOLE AMIDE DERIVATIVES AS INHIBITORS OF CYTOKINE PRODUCTION BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-06-23 WO disclosed