SCHEMBL7098149

SCHEMBL7098149

CC1(C)O[C@@H]2C(Cn3nccn3)OC(n3cnc4c(NCC(c5ccccc5)c5ccccc5)nc(Cl)nc43)[C@@H]2O1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 7/20 0.48
ADORA2A P29274 7/20 0.48
ADORA1 P30542 6/20 0.48
ADORA2B P29275 4/20 0.46
NT5E P21589 1/20 0.43

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
SCHEMBL7099228 0.88 ADORA2A (0.47) ADORA3ADORA2AADORA1ADORA2BNT5E
SCHEMBL7102294 0.85 ADORA2A (0.59) ADORA3ADORA2AADORA1ADORA2BNT5E
SCHEMBL7103371 0.84 ADORA3 (0.56) ADORA3ADORA2AADORA1ADORA2BNT5E
SCHEMBL6835048 0.84 ADORA3 (0.56) ADORA3ADORA2AADORA1ADORA2BNT5E
SCHEMBL7106559 0.82 ADORA2A (0.55) ADORA3ADORA2AADORA1ADORA2BNT5E
SCHEMBL7106915 0.82 ADORA2A (0.48) ADORA3ADORA2AADORA1ADORA2BNT5E
SCHEMBL7105083 0.82 ADORA3 (0.49) ADORA3ADORA2AADORA1ADORA2BNT5E
SCHEMBL7208372 0.81 ADORA3 (0.49) ADORA3ADORA2AADORA1ADORA2BNT5E
SCHEMBL7762177 0.81 ADORA3 (0.49) ADORA3ADORA2AADORA1ADORA2BNT5E
SCHEMBL7762181 0.81 ADORA3 (0.49) ADORA3ADORA2AADORA1ADORA2BNT5E

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