SCHEMBL5094352

SCHEMBL5094352

CCn1nnc([C@H]2O[C@@H](n3cnc4c(NCCN5CCOCC5)nc(N[C@H](CO)Cc5ccccc5)nc43)[C@H](O)[C@@H]2O)n1

nearest known ligand 0.73

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 20/20 0.73
ADORA3 P0DMS8 19/20 0.73
ADORA1 P30542 12/20 0.73
ADORA2B P29275 11/20 0.73

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
SCHEMBL5094365 0.95 ADORA2A (0.69) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL5093513 0.94 ADORA2A (0.72) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL7224828 0.91 ADORA2A (0.61) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL5093481 0.90 ADORA2A (0.79) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL5089290 0.89 ADORA2A (0.68) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL5086047 0.89 ADORA3 (0.57) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL5088922 0.88 ADORA2A (0.81) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL7463149 0.88 ADORA2A (0.76) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL7520314 0.88 ADORA2A (0.76) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL7520311 0.88 ADORA2A (0.76) ADORA2AADORA3ADORA1ADORA2B

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