SCHEMBL5779375

COc1c(NC(=O)c2ccc(C)c(-n3cc(OC(=O)N[C@H](C)c4ccccc4)nn3)c2)cc(C(C(F)(F)F)C(F)(F)F)cc1NS(C)(=O)=O

nearest known ligand 0.36

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	BRAF	P15056	12/20	0.36

▸	GPR142	Q7Z601	2/20	0.35

▸	ALDH1A1	P00352	2/20	0.34

▸	KDM4E	B2RXH2	1/20	0.34

▸	HPGD	P15428	1/20	0.34

▸	HSD17B10	Q99714	1/20	0.34

▸	MEN1	O00255	1/20	0.34

▸	KMT2A	Q03164	1/20	0.34

▸	SMN1; SMN2	Q16637	1/20	0.34

▸	CDK9	P50750	1/20	0.34

▸	ABCG2	Q9UNQ0	1/20	0.34

▸	MAPK14	Q16539	1/20	0.33

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
SCHEMBL5777788	0.91	BRAF (0.45)	BRAFMAPK14
SCHEMBL5799768	0.90	ALDH1A1 (0.37)	BRAFGPR142ALDH1A1KDM4EHPGD
SCHEMBL5779497	0.85	BRAF (0.43)	BRAFMAPK14
SCHEMBL5778687	0.85	MAPK14 (0.43)	BRAFMAPK14
SCHEMBL13757175	0.84	GPR142 (0.37)	BRAFGPR142ALDH1A1MEN1KMT2A
SCHEMBL4503590	0.84	BRAF (0.40)	BRAFGPR142
SCHEMBL5778016	0.83	BRAF (0.43)	BRAFMAPK14
SCHEMBL5777487	0.82	BRAF (0.43)	BRAFMAPK14
SCHEMBL5809710	0.81	BRAF (0.47)	BRAFGPR142ABCG2
SCHEMBL5778315	0.81	BRAF (0.47)	BRAFMAPK14

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 1 patent. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-1567507-B1	1,2,3- TRIAZOLE AMIDE DERIVATIVES AS CYTOKINE INHIBITORS	BOEHRINGER INGELHEIM PHARMA (US)	2006-06-14	—	—	EP	claimed