SCHEMBL19503293

CNc1nc(Cl)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C[C@H]12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	P2RY1	P47900	12/20	1.00

▸	P2RY2	P41231	5/20	1.00

▸	ADORA3	P0DMS8	4/20	0.68

▸	HTR2B	P41595	3/20	0.68

▸	HTR2C	P28335	2/20	0.68

▸	P2RY11	Q96G91	1/20	0.63

▸	ADORA1	P30542	2/20	0.57

▸	TMIGD3	P0DMS9	1/20	0.54

▸	ADORA2A	P29274	1/20	0.54

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
SCHEMBL29318012	0.99	P2RY1 (0.98)	P2RY1P2RY2ADORA3HTR2BHTR2C
SCHEMBL29318022	0.92	P2RY1 (0.86)	P2RY1P2RY2ADORA3HTR2BHTR2C
SCHEMBL19464972	0.92	P2RY1 (0.85)	P2RY1P2RY2ADORA3HTR2BHTR2C
SCHEMBL19807425	0.91	P2RY1 (0.84)	P2RY1P2RY2ADORA3HTR2BHTR2C
SCHEMBL19459473	0.91	P2RY1 (0.83)	P2RY1P2RY2ADORA3HTR2BHTR2C
SCHEMBL19459517	0.90	P2RY1 (0.82)	P2RY1P2RY2ADORA3HTR2BHTR2C
SCHEMBL19807534	0.88	P2RY1 (0.79)	P2RY1P2RY2ADORA3HTR2BHTR2C
SCHEMBL26934769	0.87	P2RY1 (1.00)	P2RY1P2RY2ADORA3P2RY11
SCHEMBL19464861	0.87	P2RY1 (1.00)	P2RY1P2RY2ADORA3P2RY11ADORA1
SCHEMBL22937443	0.87	P2RY1 (0.76)	P2RY1P2RY2ADORA3HTR2BHTR2C

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
WO-2017185061-A1	COMPOUNDS AND METHODS FOR TREATING NEUROLOGICAL AND CARDIOVASCULAR CONDITIONS	ASTROCYTE PHARMACEUTICALS, INC. (US)	2017-10-26	—	—	WO	disclosed