SCHEMBL5094337

SCHEMBL5094337

CC(C)CN(CO)c1nc(NCC(c2ccccc2)c2ccccc2)c2ncn([C@@H]3O[C@H](c4nnn(C)n4)[C@@H](O)[C@H]3O)c2n1

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 11/20 0.50
ADORA3 P0DMS8 5/20 0.50
ADORA2B P29275 5/20 0.50
ADORA1 P30542 5/20 0.50

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
Formic Acid SCHEMBL7231852 0.97 ADORA2A (0.49) ADORA2AADORA3ADORA2BADORA1
SCHEMBL5086039 0.90 ADORA2A (0.49) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7231858 0.90 ADORA2A (0.47) ADORA2AADORA3ADORA2BADORA1
Formic Acid SCHEMBL7231158 0.87 ADORA2A (0.48) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7114219 0.84 ADORA2A (0.48) ADORA2AADORA3ADORA2BADORA1
SCHEMBL5138575 0.84 ADORA2A (0.52) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7103824 0.84 ADORA2A (0.48) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7521870 0.83 ADORA2A (0.54) ADORA2AADORA3ADORA2BADORA1
SCHEMBL5094339 0.83 ADORA2A (0.54) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7521901 0.83 ADORA2A (0.54) 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