Acumapimod

SCHEMBL1386523

Cc1ccc(C(=O)NC2CC2)cc1-n1cnc(C(=O)c2cccc(-c3cnccn3)c2)c1N.Cc1ccc(C(=O)NC2CC2)cc1-n1ncc(C(=O)c2cccc(C#N)c2)c1N

nearest known ligand 0.42

Known targets — ChEMBL curated mechanism

The experimentally established mechanism targets of Acumapimod. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	MAPK14 known ✓	Q16539	12/20	0.42

▸	MAPK11	Q15759	1/20	0.41

▸	TEK	Q02763	1/20	0.40

▸	RIPK2	O43353	2/20	0.39

▸	BTK	Q06187	4/20	0.38

▸	BRAF	P15056	1/20	0.37

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
SCHEMBL1382734	0.88	MAPK14 (0.51)	MAPK14MAPK11RIPK2
SCHEMBL1416984	0.87	MAPK14 (0.54)	MAPK14MAPK11RIPK2
Acumapimod SCHEMBL29378269	0.85	MAPK14 (0.55)	MAPK14MAPK11BTK
Acumapimod SCHEMBL29429435	0.85	MAPK14 (0.55)	MAPK14MAPK11BTK
Acumapimod SCHEMBL1382253	0.85	MAPK14 (0.55)	MAPK14MAPK11BTK
SCHEMBL11968361	0.80	MAPK14 (0.55)	MAPK14MAPK11RIPK2BTK
SCHEMBL1384339	0.80	MAPK14 (0.54)	MAPK14MAPK11
SCHEMBL11982592	0.78	MAPK14 (0.55)	MAPK14MAPK11RIPK2
SCHEMBL1417126	0.78	MAPK14 (0.56)	MAPK14RIPK2
SCHEMBL1417250	0.78	MAPK14 (0.60)	MAPK14MAPK11RIPK2

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
JP-4838121-B2	—	—	2011-12-14	—	—	JP	claimed