SCHEMBL294574

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

nearest known ligand 0.37

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	ADORA2A	P29274	13/20	0.37

▸	ADORA3	P0DMS8	10/20	0.37

▸	HRH4	Q9H3N8	1/20	0.32

▸	HRH3	Q9Y5N1	1/20	0.32

▸	ADORA1	P30542	3/20	0.32

▸	ADORA2B	P29275	2/20	0.31

▸	EML4	Q9HC35	1/20	0.30

▸	ALK	Q9UM73	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
SCHEMBL241767	0.95	ADORA2A (0.39)	ADORA2AADORA3ADORA1
SCHEMBL242740	0.95	ADORA2A (0.39)	ADORA2AADORA3ADORA1
SCHEMBL243279	0.94	ADORA2A (0.37)	ADORA2AADORA3ADORA1ADORA2B
Trifluoroacetic Acid SCHEMBL294573	0.91	ADORA2A (0.43)	ADORA2AADORA3HRH4HRH3ADORA1
SCHEMBL242736	0.90	ADORA2A (0.41)	ADORA2AADORA3HRH4HRH3ADORA1
SCHEMBL291809	0.90	ADORA2A (0.41)	ADORA2AADORA3HRH4HRH3ADORA1
SCHEMBL243066	0.90	ADORA2A (0.46)	ADORA2AADORA3HRH4HRH3ADORA1
SCHEMBL239652	0.89	ADORA2A (0.37)	ADORA2AADORA3HRH4HRH3ADORA1
SCHEMBL242524	0.89	ADORA2A (0.38)	ADORA2AADORA3HRH4HRH3EML4
SCHEMBL293886	0.89	ADORA2A (0.39)	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