SCHEMBL7102409

SCHEMBL7102409

N[C@H]1CC[C@H](Nc2nc(NCC(c3ccccc3)c3ccccc3)c3ncn([C@@H]4O[C@H](Cn5nccn5)[C@@H](O)[C@H]4O)c3n2)CC1

nearest known ligand 0.71

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 11/20 0.71
ADORA3 P0DMS8 1/20 0.51
ADORA2B P29275 1/20 0.51
ADORA1 P30542 1/20 0.51

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
SCHEMBL7102408 1.00 ADORA2A (0.71) ADORA2AADORA3ADORA2BADORA1
Formic Acid SCHEMBL7102289 0.96 ADORA2A (0.67) ADORA2AADORA3ADORA2BADORA1
Formic Acid SCHEMBL7102280 0.96 ADORA2A (0.67) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7102281 0.90 ADORA2A (0.61) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7102282 0.90 ADORA2A (0.63) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7102294 0.83 ADORA2A (0.59) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7117701 0.82 ADORA2A (0.67) ADORA2AADORA3ADORA2BADORA1
SCHEMBL8609271 0.82 ADORA2A (1.00) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7117696 0.82 ADORA2A (0.67) ADORA2AADORA3ADORA2BADORA1
SCHEMBL8609268 0.82 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1090021-B1 2-(PURIN-9-YL)-TETRAHYDROFURAN-3,4-DIOL DERIVATIVES GLAXO GROUP LTD (GB) 2003-09-10 EP claimed
US-6534486-B1 With broad anti-inflammatory properties which inhibit leukocyte recruitment and activation and which are agonists of the adenosine 2a receptor are described. SMITHKLINE BEECHAM CORPORATION 2003-03-18 US claimed
EP-1090021-A1 2-(PURIN-9-YL)-TETRAHYDROFURAN-3,4-DIOL DERIVATIVES GLAXO GROUP LIMITED (GB) 2001-04-11 EP claimed
WO-1999067266-A1 2-(PURIN-9-YL)-TETRAHYDROFURAN-3,4-DIOL DERIVATIVES GLAXO GROUP LIMITED (GB) 1999-12-29 WO claimed