SCHEMBL294575

CCCN(C(=O)C(F)(F)F)[C@H]1C[C@@H](n2cnc3c(N[C@H](CO)Cc4ccc(O)cc4)nc(N4CC[C@@H](N(C)C)C4)nc32)[C@H](O)[C@@H]1O

nearest known ligand 0.36

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	ADORA2A	P29274	9/20	0.36

▸	ADORA3	P0DMS8	6/20	0.35

▸	HRH4	Q9H3N8	2/20	0.33

▸	HRH3	Q9Y5N1	2/20	0.33

▸	ADORA1	P30542	3/20	0.33

▸	ADORA2B	P29275	2/20	0.33

▸	CDK1	P06493	1/20	0.30

▸	CDK5	Q00535	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
SCHEMBL242741	0.95	ADORA2A (0.42)	ADORA2AADORA3HRH4HRH3ADORA1
SCHEMBL241768	0.95	ADORA2A (0.42)	ADORA2AADORA3HRH4HRH3ADORA1
SCHEMBL243280	0.93	ADORA2A (0.39)	ADORA2AADORA3HRH4HRH3ADORA1
SCHEMBL242737	0.90	ADORA2A (0.34)	ADORA2AADORA3HRH4HRH3ADORA1
SCHEMBL291810	0.90	ADORA2A (0.34)	ADORA2AADORA3HRH4HRH3ADORA1
SCHEMBL244024	0.90	ADORA2A (0.34)	ADORA2AADORA3HRH4HRH3ADORA1
SCHEMBL243067	0.90	ADORA2A (0.38)	ADORA2AADORA3HRH4HRH3ADORA1
SCHEMBL242525	0.89	HRH4 (0.31)	ADORA2AADORA3HRH4HRH3ADORA1
SCHEMBL243349	0.88	ADORA2A (0.36)	ADORA2AADORA3HRH4HRH3ADORA1
SCHEMBL293887	0.88	ADORA2A (0.32)	ADORA2AADORA3

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

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-2013211-B1	PURINE DERIVATIVES FOR USE AS ADENOSIN A2A RECEPTOR AGONISTS	NOVARTIS AG (CH)	2012-03-14	—	—	EP	disclosed
EP-2322525-A1	Purine derivatives for use as adenosin A2A receptor agonists	Novartis AG (CH)	2011-05-18	—	—	EP	disclosed