SCHEMBL7099604

SCHEMBL7099604

O=CO[C@@H]1[C@H](O)[C@@H](Cn2nccn2)O[C@H]1n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(NCCN3CCOCC3)nc21

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 15/20 0.59
ADORA3 P0DMS8 3/20 0.46
ADORA2B P29275 3/20 0.46
ADORA1 P30542 3/20 0.46

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
SCHEMBL7099606 0.95 ADORA2A (0.60) ADORA2AADORA3ADORA2BADORA1
Formic Acid SCHEMBL7099603 0.91 ADORA2A (0.65) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7101460 0.90 ADORA2A (0.69) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7099655 0.83 ADORA2A (0.56) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7098934 0.83 ADORA2A (0.56) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7204466 0.83 ADORA2A (0.56) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7102111 0.83 ADORA2A (0.56) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7102281 0.83 ADORA2A (0.61) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7204472 0.81 ADORA2A (0.57) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7099657 0.81 ADORA2A (0.57) 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 disclosed
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 disclosed
EP-1090021-A1 2-(PURIN-9-YL)-TETRAHYDROFURAN-3,4-DIOL DERIVATIVES GLAXO GROUP LIMITED (GB) 2001-04-11 EP disclosed
WO-1999067266-A1 2-(PURIN-9-YL)-TETRAHYDROFURAN-3,4-DIOL DERIVATIVES GLAXO GROUP LIMITED (GB) 1999-12-29 WO disclosed