SCHEMBL7204087

CCc1noc([C@H]2O[C@@H](n3cnc4c(NCC(c5ccccc5)c5ccccc5)nc(NCCc5cn(C)cn5)nc43)[C@H](OC(=O)C(F)F)[C@@H]2OC(=O)C(F)F)n1

nearest known ligand 0.53

Predicted protein targets (top 4)

	gene	UniProt	supporting neighbours	confidence
▸	ADORA2A	P29274	20/20	0.53

▸	ADORA3	P0DMS8	7/20	0.53

▸	ADORA2B	P29275	3/20	0.48

▸	ADORA1	P30542	3/20	0.48

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
SCHEMBL7204082	0.90	ADORA2A (0.58)	ADORA2AADORA3ADORA2BADORA1
SCHEMBL7206736	0.88	ADORA2A (0.59)	ADORA2AADORA3ADORA2BADORA1
SCHEMBL7210021	0.86	ADORA2A (0.53)	ADORA2AADORA3ADORA2BADORA1
SCHEMBL7203801	0.85	ADORA2A (0.55)	ADORA2AADORA3ADORA2BADORA1
SCHEMBL7203805	0.84	ADORA2A (0.55)	ADORA2AADORA3ADORA2BADORA1
SCHEMBL7205271	0.84	ADORA2A (0.59)	ADORA2AADORA3ADORA2BADORA1
Formic Acid SCHEMBL7203796	0.82	ADORA2A (0.58)	ADORA2AADORA3ADORA2BADORA1
SCHEMBL7208192	0.81	ADORA2A (0.59)	ADORA2AADORA3ADORA2BADORA1
Trifluoroacetic Acid SCHEMBL7210014	0.81	ADORA2A (0.57)	ADORA2AADORA3ADORA2BADORA1
SCHEMBL7205590	0.79	PGK1 (0.58)	ADORA2AADORA3ADORA2BADORA1

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
US-6610665-B1	Treatment of inflammatory diseases, asthma or chronic obstructive pulmonary disease	SMITHKLINE BEECHAM CORPORATION	2003-08-26	—	—	US	disclosed
EP-1056759-B1	2-(PURIN-9-YL) -TETRAHYDROFURAN-3, 4-DIOL DERIVATIVES	GLAXO GROUP LTD (GB)	2002-09-04	—	—	EP	disclosed