SCHEMBL7102294

SCHEMBL7102294

O[C@@H]1[C@H](O)[C@@H](Cn2nccn2)O[C@H]1n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(Cl)nc21

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.59
ADORA1 P30542 4/20 0.59
ADORA3 P0DMS8 3/20 0.59
ADORA2B P29275 2/20 0.59
NT5E P21589 1/20 0.57

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.

Compoundsimilaritytop predictedshared targets
SCHEMBL8325836 0.88 ADORA2A (0.75) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL1415120 0.88 ADORA2A (0.75) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL1415110 0.88 ADORA2A (0.75) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL1415112 0.88 ADORA2A (0.75) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL1415122 0.88 ADORA2A (0.75) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL7098149 0.85 ADORA3 (0.48) ADORA2AADORA1ADORA3ADORA2BNT5E
SCHEMBL10689350 0.84 ADORA2A (0.68) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL10689357 0.84 ADORA2A (0.68) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL7102409 0.83 ADORA2A (0.71) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL7102408 0.83 ADORA2A (0.71) ADORA2AADORA1ADORA3ADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1090021-B1 2-(PURIN-9-YL)-TETRAHYDROFURAN-3,4-DIOL DERIVATIVES GLAXO GROUP LTD (GB) 2003-09-10 EP disclosed
US-6534486-B1 With broad anti-inflammatory properties which inhibit leukocyte recruitment and activation and which are agonists of the adenosine 2a receptor are described. SMITHKLINE BEECHAM CORPORATION 2003-03-18 US disclosed
EP-1090021-A1 2-(PURIN-9-YL)-TETRAHYDROFURAN-3,4-DIOL DERIVATIVES GLAXO GROUP LIMITED (GB) 2001-04-11 EP disclosed
WO-1999067266-A1 2-(PURIN-9-YL)-TETRAHYDROFURAN-3,4-DIOL DERIVATIVES GLAXO GROUP LIMITED (GB) 1999-12-29 WO disclosed