Sugi Predict

Sugi Predict / Compounds / SCHEMBL303872

SCHEMBL303872

SCHEMBL303872

COc1c(NC(=O)c2ccc(C)c(-n3cc(-c4cnc(C(=O)c5ccccc5)n4C)nn3)c2)cc(C(C)(C)C)cc1NS(C)(=O)=O.COc1c(NC(=O)c2ccc(C)c(-n3cc(-c4cnc(C(=O)c5ccccc5)n4C)nn3)c2)cc(C2(C)CC2)cc1NS(C)(=O)=O

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 18/20 0.43
▸ LYN P07948 1/20 0.43
▸ MAPK9 P45984 1/20 0.43
▸ MAPK14 Q16539 1/20 0.41

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
SCHEMBL4034947 0.96 GPR142 (0.39) BRAFLYNMAPK9
SCHEMBL301218 0.94 BRAF (0.46) BRAFLYNMAPK9MAPK14
SCHEMBL304738 0.89 BRAF (0.41) BRAFLYNMAPK9MAPK14
SCHEMBL4032212 0.89 GPR142 (0.41) BRAFLYNMAPK9
SCHEMBL4034878 0.88 BRAF (0.46) BRAFLYNMAPK9
SCHEMBL303783 0.88 BRAF (0.41) BRAF
SCHEMBL3530762 0.88 GPR142 (0.40) BRAF
SCHEMBL4033498 0.88 BRAF (0.47) BRAF
SCHEMBL4031029 0.87 BRAF (0.47) BRAF
SCHEMBL4031826 0.86 GPR142 (0.40) BRAFLYNMAPK9

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