SCHEMBL5088922

SCHEMBL5088922

CCn1nnc([C@H]2O[C@@H](n3cnc4c(NCc5ccccc5)nc(N[C@H](CO)Cc5ccccc5)nc43)[C@H](O)[C@@H]2O)n1

nearest known ligand 0.81

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 19/20 0.81
ADORA3 P0DMS8 18/20 0.81
ADORA2B P29275 14/20 0.81
ADORA1 P30542 13/20 0.81

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
SCHEMBL5093481 0.93 ADORA2A (0.79) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7520311 0.91 ADORA2A (0.76) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7463149 0.91 ADORA2A (0.76) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7520314 0.91 ADORA2A (0.76) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7231578 0.90 ADORA2A (0.66) ADORA2AADORA3ADORA2BADORA1
Gw-328267 SCHEMBL1979140 0.89 ADORA2A (1.00) ADORA2AADORA3ADORA2BADORA1
Gw-328267 SCHEMBL4390982 0.89 ADORA2A (1.00) ADORA2AADORA3ADORA2BADORA1
Gw-328267 SCHEMBL1980933 0.89 ADORA2A (1.00) ADORA2AADORA3ADORA2BADORA1
Gw-328267 SCHEMBL1983126 0.89 ADORA2A (1.00) ADORA2AADORA3ADORA2BADORA1
Gw-328267 SCHEMBL1983128 0.89 ADORA2A (1.00) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4156035-B2 2008-09-24 JP claimed
EP-0948509-B1 2-(PURIN-9-YL)-TETRAHYDROFURAN-3,4-DIOL DERIVATIVES GLAXO GROUP LTD (GB) 2002-10-16 EP claimed
US-6426337-B1 ANTIINFLAMMATORY AGENTS SMITHKLINE BEECHAM CORPORATION 2002-07-30 US claimed
JP-2001506668-A 2001-05-22 JP claimed
EP-0948509-A1 2-(PURIN-9-YL)-TETRAHYDROFURAN-3,4-DIOL DERIVATIVES GLAXO GROUP LIMITED (GB) 1999-10-13 EP claimed
WO-1998028319-A1 2-(PURIN-9-YL)-TETRAHYDROFURAN-3,4-DIOL DERIVATIVES GLAXO GROUP LIMITED (GB) 1998-07-02 WO claimed