SCHEMBL293429

COc1ccc(C(Nc2nc(Cl)nc3c2ncn3[C@@H]2C[C@H](N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)[C@@](O)(N(c3nc(Cl)nc4c3ncn4C3C=C[C@@H](N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C3)C(c3ccc(OC)cc3)c3ccc(OC)cc3)[C@H]2O)c2ccc(OC)cc2)cc1

nearest known ligand 0.32

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	ADORA1	P30542	5/20	0.32

▸	HTR2B	P41595	2/20	0.32

▸	TMIGD3	P0DMS9	1/20	0.32

▸	CYP2C9	P11712	1/20	0.32

▸	HTR2C	P28335	1/20	0.32

▸	ADORA3	P0DMS8	4/20	0.31

▸	ADORA2A	P29274	3/20	0.31

▸	NT5E	P21589	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
SCHEMBL244277	1.00	ADORA1 (0.32)	ADORA1HTR2BTMIGD3CYP2C9HTR2C
SCHEMBL242801	0.87	ADORA1 (0.37)	ADORA1HTR2BTMIGD3CYP2C9HTR2C
SCHEMBL1401997	0.77	ADORA1 (0.41)	ADORA1HTR2BTMIGD3CYP2C9HTR2C
SCHEMBL243701	0.77	ADORA1 (0.41)	ADORA1HTR2BTMIGD3CYP2C9HTR2C
SCHEMBL240045	0.72	ADORA3 (0.46)	ADORA1HTR2BTMIGD3CYP2C9HTR2C
SCHEMBL4220375	0.72	ADORA3 (0.46)	ADORA1HTR2BTMIGD3CYP2C9HTR2C
SCHEMBL241801	0.71	ADORA3 (0.52)	ADORA1ADORA3ADORA2ANT5E
SCHEMBL239530	0.69	LMNA (0.39)	ADORA1HTR2BTMIGD3HTR2CADORA3
SCHEMBL1412358	0.69	ADORA1 (0.52)	ADORA1ADORA3ADORA2ANT5E
SCHEMBL1401972	0.69	ADORA1 (0.49)	ADORA1HTR2BTMIGD3CYP2C9HTR2C

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-2013211-B1	PURINE DERIVATIVES FOR USE AS ADENOSIN A2A RECEPTOR AGONISTS	NOVARTIS AG (CH)	2012-03-14	—	—	EP	disclosed