SCHEMBL4037019

SCHEMBL4037019

COc1c(NC(=O)c2ccc(C)c(-n3cc(-c4cnn(-c5ccccc5)c4CCNC(=O)O)nn3)c2)cc(C(C)(C)C)cc1NS(C)(=O)=O

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BRAF P15056 18/20 0.42
MAPK14 Q16539 2/20 0.40

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
SCHEMBL4036265 0.94 BRAF (0.42) BRAFMAPK14
SCHEMBL4032953 0.94 BRAF (0.43) BRAFMAPK14
SCHEMBL303466 0.93 BRAF (0.39) BRAFMAPK14
SCHEMBL4031171 0.93 BRAF (0.46) BRAFMAPK14
SCHEMBL4033327 0.91 BRAF (0.45) BRAFMAPK14
SCHEMBL5057439 0.91 BRAF (0.40) BRAFMAPK14
SCHEMBL301852 0.89 BRAF (0.49) BRAFMAPK14
SCHEMBL4034135 0.89 BRAF (0.43) BRAFMAPK14
SCHEMBL4031982 0.89 BRAF (0.43) BRAFMAPK14
SCHEMBL4034101 0.88 BRAF (0.45) 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 3 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 claimed
EP-1725544-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) 2006-11-29 EP disclosed
WO-2005090333-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) 2005-09-29 WO disclosed