SCHEMBL2220058

CC(c1ccc(Br)cc1)c1sc(CNC(=O)COc2ccc(OC(F)(F)F)cc2)nc1C(N)=O.COc1cc(CCc2oc(CNC(=O)COc3ccc(OC(F)(F)F)cc3)nc2C(N)=O)cc(OC)c1.COc1ccccc1CNC(=O)c1coc(CNC(=O)COc2ccc(OC(F)(F)F)cc2)n1.NC(=O)c1nc(CNC(=O)COc2ccc(OC(F)(F)F)cc2)sc1CCN1CCOCC1.NC(=O)c1nc(CNC(=O)COc2ccc(OC(F)(F)F)cc2)sc1Cc1ccc(F)cc1

nearest known ligand 0.30

Predicted protein targets (top 4)

	gene	UniProt	supporting neighbours	confidence
▸	CACNA1G	O43497	1/20	0.30

▸	CACNA1H	O95180	1/20	0.30

▸	CACNA1I	Q9P0X4	1/20	0.30

▸	CNR2	P34972	1/20	0.30

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
SCHEMBL2220055	0.78	MAPT (0.36)	CACNA1GCACNA1HCACNA1ICNR2
SCHEMBL2171264	0.68	NPC1 (0.55)	CACNA1GCACNA1HCACNA1I
SCHEMBL2215614	0.66	MEN1 (0.31)	—
SCHEMBL4563134	0.65	MAPT (0.35)	CACNA1GCACNA1HCACNA1I
SCHEMBL4543547	0.64	CYP1A2 (0.32)	—
SCHEMBL2173835	0.63	NPC1 (0.46)	CACNA1GCACNA1HCACNA1I
SCHEMBL4543941	0.61	MAPT (0.38)	—
SCHEMBL2188149	0.61	MAPT (0.37)	—
SCHEMBL4563131	0.60	MAPT (0.40)	CACNA1GCACNA1HCACNA1I
SCHEMBL4543938	0.59	MAPT (0.41)	—

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
US-7973061-B2	Anaplastic lymphoma kinase modulators and methods of use	EXELIXIS, INC. (US)	2011-07-05	—	—	US	claimed