SCHEMBL13848971

SCHEMBL13848971

COc1c(NC(=O)c2ccc(C)c(N3C=C(c4cnc(-c5ccccc5)[nH]4)NN3)c2)cc(C(C)(C)C)cc1NS(C)(=O)=O

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BRAF P15056 18/20 0.46
MAPK14 Q16539 2/20 0.45

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
SCHEMBL14298443 0.90 BRAF (0.49) BRAFMAPK14
SCHEMBL13848675 0.90 BRAF (0.49) BRAFMAPK14
SCHEMBL13848985 0.88 BRAF (0.47) BRAF
SCHEMBL13848846 0.86 BRAF (0.48) BRAF
SCHEMBL13848929 0.86 BRAF (0.46) BRAFMAPK14
SCHEMBL13848739 0.86 BRAF (0.48) BRAFMAPK14
SCHEMBL13887593 0.85 BRAF (0.47) BRAF
SCHEMBL13848807 0.85 BRAF (0.49) BRAFMAPK14
SCHEMBL13848650 0.85 BRAF (0.53) BRAF
SCHEMBL13848669 0.84 BRAF (0.52) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1725544-B1 3-[4-HETEROCYCLYL-1,2,3-TRIAZOL-1-YL]-N-ARYL-BENZAMIDES AS INHIBITORS OF THE CYTOKINES PRODUCTION FOR THE TREATMENT OF CHRONIC INFLAMMATORY DISEASES BOEHRINGER INGELHEIM PHARMA (US) 2009-05-27 EP disclosed
EP-1887003-A1 3-[4-HETEROCYCLYL -1,2,3-TRIAZOL-1-YL]-N-ARYL-BENZAMIDES AS INHIBITORS OF THE CYTOKINES PRODUCTION FOR THE TREATMENT OF CHRONIC INFLAMMATORY DISEASES Boehringer Ingelheim Pharmaceuticals, Inc. (US) 2008-02-13 EP disclosed