SCHEMBL4749407

Cc1c(F)cccc1C1[C@@H](C(=O)c2ncccn2)CN(CC(=O)NC(C(=O)N(C)C)N2C[C@H](C(=O)c3ncccn3)C(c3cccc(F)c3C)[C@H](C(=O)c3ncccn3)C2)C[C@H]1C(=O)c1ncccn1

nearest known ligand 0.32

Predicted protein targets (top 15)

	gene	UniProt	supporting neighbours	confidence
▸	EED	O75530	1/20	0.32

▸	DRD4	P21917	2/20	0.32

▸	ALDH1A1	P00352	3/20	0.32

▸	KDM4E	B2RXH2	1/20	0.32

▸	SMN1; SMN2	Q16637	1/20	0.32

▸	TDP1	Q9NUW8	1/20	0.32

▸	L3MBTL1	Q9Y468	1/20	0.30

▸	POLB	P06746	2/20	0.30

▸	DRD2	P14416	1/20	0.30

▸	DRD3	P35462	1/20	0.30

▸	RIPK1	Q13546	1/20	0.30

▸	MEN1	O00255	1/20	0.30

▸	GAA	P10253	1/20	0.30

▸	KMT2A	Q03164	1/20	0.30

▸	SLC6A4	P31645	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
SCHEMBL4749422	0.88	HPGD (0.34)	EEDALDH1A1SMN1; SMN2L3MBTL1GAA
SCHEMBL4749424	0.85	EED (0.42)	EEDRIPK1
SCHEMBL4749426	0.85	EED (0.42)	EEDRIPK1
SCHEMBL4749432	0.77	CYP2D6 (0.34)	MEN1KMT2A
SCHEMBL4023587	0.76	EED (0.41)	EEDSMN1; SMN2
SCHEMBL4023583	0.76	EED (0.41)	EEDSMN1; SMN2
SCHEMBL4752708	0.75	MEN1 (0.43)	RIPK1MEN1KMT2A
SCHEMBL4019678	0.75	NPC1 (0.36)	DRD4POLBDRD2DRD3
SCHEMBL4019675	0.75	NPC1 (0.36)	DRD4POLBDRD2DRD3
SCHEMBL4752824	0.74	TAAR1 (0.34)	RIPK1

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
WO-2008140810-A1	CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS	CYTOKINETICS, INCORPORATED (US)	2008-11-20	—	—	WO	disclosed