SCHEMBL302706

CCn1c(-c2cn(-c3cc(C(=O)Nc4cc(C(C)(C)C)cc(NS(C)(=O)=O)c4OC)ccc3C)nn2)cnc1-c1ccccc1.COc1c(NC(=O)c2ccc(C)c(-n3cc(-c4cnc(C(C)C)n4C4CC4)nn3)c2)cc(C(C)(C)C)cc1NS(C)(=O)=O.COc1c(NC(=O)c2ccc(C)c(-n3cc(-c4cnc(C)n4C(C)(C)C)nn3)c2)cc(C(C)(C)C)cc1NS(C)(=O)=O

nearest known ligand 0.42

Predicted protein targets (top 1)

	gene	UniProt	supporting neighbours	confidence
▸	BRAF	P15056	20/20	0.42

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.

Compound	similarity	top predicted	shared targets
SCHEMBL4481558	0.92	BRAF (0.44)	BRAF
SCHEMBL302096	0.88	BRAF (0.48)	BRAF
SCHEMBL302523	0.87	BRAF (0.48)	BRAF
SCHEMBL304386	0.84	BRAF (0.48)	BRAF
SCHEMBL302129	0.83	BRAF (0.48)	BRAF
SCHEMBL3529320	0.80	BRAF (0.46)	BRAF
SCHEMBL4033846	0.80	BRAF (0.49)	BRAF
SCHEMBL4031882	0.79	BRAF (0.49)	BRAF
SCHEMBL302770	0.79	BRAF (0.42)	BRAF
SCHEMBL302431	0.79	BRAF (0.47)	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.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
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