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SCHEMBL302407

SCHEMBL302407

COc1c(NC(=O)c2ccc(C)c(-n3cc(-c4cnc(C(C)(C)COCc5ccccc5)n4C)nn3)c2)cc(C(C)(C)C)cc1NS(C)(=O)=O.COc1c(NC(=O)c2ccc(C)c(-n3cc(-c4cncn4C(C)(C)C)nn3)c2)cc(C(C)(C)C)cc1NS(C)(=O)=O.COc1c(NC(=O)c2ccc(C)c(-n3cc(-c4cncn4C(C)(C)C)nn3)c2)cc(C2(C)CC2)cc1NS(C)(=O)=O

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ GPR142 Q7Z601 3/20 0.37
▸ BRAF P15056 16/20 0.37
▸ LYN P07948 1/20 0.35
▸ MAPK9 P45984 1/20 0.35

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
SCHEMBL4036010 0.90 BRAF (0.42) BRAF
SCHEMBL4031886 0.85 GPR142 (0.45) GPR142BRAF
SCHEMBL4032212 0.83 GPR142 (0.41) GPR142BRAFLYNMAPK9
SCHEMBL304738 0.83 BRAF (0.41) BRAFLYNMAPK9
SCHEMBL303783 0.83 BRAF (0.41) GPR142BRAF
SCHEMBL303872 0.83 BRAF (0.43) BRAFLYNMAPK9
SCHEMBL4032273 0.82 BRAF (0.44) BRAF
SCHEMBL4031649 0.82 GPR142 (0.48) GPR142BRAF
SCHEMBL4031205 0.81 BRAF (0.43) BRAF
SCHEMBL4031336 0.80 BRAF (0.46) 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
JP-4850824-B2 — — 2012-01-11 — — JP 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 claimed
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 claimed