SCHEMBL5093498

SCHEMBL5093498

CCn1nnc([C@H]2O[C@@H](n3cnc4c(N)nc(NC5CCC(N)CC5)nc43)[C@H](O)[C@@H]2O)n1

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 20/20 0.68
ADORA2A P29274 20/20 0.68
ADORA1 P30542 15/20 0.68
ADORA2B P29275 12/20 0.68

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
SCHEMBL5093507 1.00 ADORA3 (0.68) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL5094349 0.94 ADORA2A (0.70) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL7224668 0.90 ADORA3 (0.74) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL7224665 0.90 ADORA3 (0.74) ADORA3ADORA2AADORA1ADORA2B
Trifluoroacetic Acid SCHEMBL7224311 0.87 ADORA2A (0.66) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL7451284 0.87 ADORA2A (0.67) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL7451290 0.87 ADORA2A (0.67) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL2170669 0.86 ADORA3 (0.68) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL2167817 0.86 ADORA3 (0.68) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL2167424 0.86 ADORA3 (0.68) 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 11 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
US-6528494-B2 Antiinflammatory agents COX BRIAN (GB) 2003-03-04 US disclosed
EP-0948509-B1 2-(PURIN-9-YL)-TETRAHYDROFURAN-3,4-DIOL DERIVATIVES GLAXO GROUP LTD (GB) 2002-10-16 EP disclosed
US-6426337-B1 ANTIINFLAMMATORY AGENTS SMITHKLINE BEECHAM CORPORATION 2002-07-30 US disclosed
EP-0948509-A1 2-(PURIN-9-YL)-TETRAHYDROFURAN-3,4-DIOL DERIVATIVES GLAXO GROUP LIMITED (GB) 1999-10-13 EP disclosed
WO-1998028319-A1 2-(PURIN-9-YL)-TETRAHYDROFURAN-3,4-DIOL DERIVATIVES GLAXO GROUP LIMITED (GB) 1998-07-02 WO disclosed