SCHEMBL1378968

SCHEMBL1378968

Cc1ccc(C(=O)Nc2cc(C(C)(C)C)cn(CCN3CCOCC3)c2=O)cc1-n1cc(C(=O)NCC(C)(C)C)nn1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRAF P15056 12/20 0.46
CNR2 P34972 1/20 0.43
STK25 O00506 1/20 0.41
CYP2C9 P11712 1/20 0.40
ABL1 P00519 1/20 0.39
BCR P11274 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
WDR5 P61964 1/20 0.38

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
SCHEMBL4470912 0.91 BRAF (0.48) BRAFSTK25CYP2C9ABL1BCR
SCHEMBL1404561 0.89 BRAF (0.45) BRAFCNR2STK25CYP2C9ABL1
SCHEMBL1380853 0.86 BTK (0.41) BRAF
SCHEMBL1380404 0.85 BRAF (0.44) BRAFCNR2STK25ABL1BCR
SCHEMBL1381107 0.83 BRAF (0.44) BRAFCNR2STK25ABL1BCR
SCHEMBL1405170 0.81 L3MBTL1 (0.55) BRAFCYP2C9POLBSMN1; SMN2
SCHEMBL1384089 0.79 KIT (0.42) BRAFSTK25
SCHEMBL1384086 0.79 BRAF (0.42) BRAF
SCHEMBL1377799 0.79 BRAF (0.39) BRAFSTK25
SCHEMBL1378181 0.78 BRAF (0.40) 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 5 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