SCHEMBL6875301

CCNS(=O)(=O)CCNc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](c2cc(CO)no2)[C@@H](O)[C@H]1O.CCOC(=O)N1CCC(Nc2nc(Cl)nc3c2ncn3[C@@H]2O[C@H](c3cc(CO)no3)[C@@H](O)[C@H]2O)CC1

nearest known ligand 0.47

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	ADORA3	P0DMS8	13/20	0.47

▸	ADORA1	P30542	6/20	0.46

▸	ADORA2A	P29274	4/20	0.46

▸	ADORA2B	P29275	4/20	0.46

▸	MEN1	O00255	1/20	0.43

▸	CYP1A2	P05177	1/20	0.43

▸	MAPK1	P28482	1/20	0.43

▸	KMT2A	Q03164	1/20	0.43

▸	RXFP1	Q9HBX9	1/20	0.43

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
SCHEMBL6574581	0.91	ADORA3 (0.54)	ADORA3ADORA1ADORA2AADORA2BMEN1
SCHEMBL6574584	0.91	ADORA3 (0.54)	ADORA3ADORA1ADORA2AADORA2BMEN1
SCHEMBL6574461	0.89	ADORA3 (0.47)	ADORA3ADORA1ADORA2AADORA2B
SCHEMBL6574465	0.89	ADORA3 (0.47)	ADORA3ADORA1ADORA2AADORA2B
SCHEMBL6575079	0.86	ADORA3 (0.54)	ADORA3ADORA1ADORA2AADORA2BMEN1
SCHEMBL6575072	0.86	ADORA3 (0.54)	ADORA3ADORA1ADORA2AADORA2BMEN1
SCHEMBL6576768	0.82	ADORA1 (0.56)	ADORA3ADORA1ADORA2AADORA2BMEN1
SCHEMBL6574692	0.82	ADORA1 (0.56)	ADORA3ADORA1ADORA2AADORA2BMEN1
SCHEMBL6576621	0.79	ADORA3 (0.44)	ADORA3ADORA1ADORA2AADORA2B
SCHEMBL6576614	0.79	ADORA3 (0.44)	ADORA3ADORA1ADORA2AADORA2B

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-1447407-A1	Adenosine derivatives	GLAXO GROUP LIMITED (GB)	2004-08-18	—	—	EP	disclosed