SCHEMBL5089330

SCHEMBL5089330

CCn1nnc([C@H]2O[C@@H](n3cnc4c(N)nc(NCc5ccccc5CO)nc43)[C@H](O)[C@@H]2O)n1

nearest known ligand 0.69

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 20/20 0.69
ADORA2A P29274 20/20 0.69
ADORA1 P30542 14/20 0.69
ADORA2B P29275 12/20 0.69

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
Trifluoroacetic Acid SCHEMBL7223150 0.94 ADORA3 (0.68) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL7223156 0.87 ADORA3 (0.55) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL7223153 0.87 ADORA3 (0.55) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL5086052 0.85 ADORA3 (0.68) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL7450664 0.84 ADORA3 (0.68) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL3813301 0.83 ADORA3 (0.79) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL7455027 0.83 ADORA3 (0.74) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL7460686 0.82 ADORA3 (0.76) ADORA3ADORA2AADORA1ADORA2B
Gw-328267 SCHEMBL1983126 0.82 ADORA2A (1.00) ADORA3ADORA2AADORA1ADORA2B
Gw-328267 SCHEMBL13268529 0.82 ADORA2A (1.00) ADORA3ADORA2AADORA1ADORA2B

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