SCHEMBL7087969

SCHEMBL7087969

O[C@@H]1[C@H](O)[C@@H](c2nnn(C3CCC3)n2)O[C@H]1n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(NCCN3CCCCC3)nc21

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 18/20 0.68
ADORA3 P0DMS8 2/20 0.49
ADORA2B P29275 2/20 0.49
ADORA1 P30542 2/20 0.49

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
Trifluoroacetic Acid SCHEMBL7656524 0.95 ADORA2A (0.69) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7222636 0.91 ADORA2A (0.74) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7084921 0.89 ADORA2A (0.67) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7763687 0.89 ADORA2A (0.69) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7088171 0.89 ADORA2A (0.69) ADORA2AADORA3ADORA2BADORA1
SCHEMBL5086172 0.89 ADORA2A (0.71) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7087538 0.88 ADORA2A (0.70) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7089191 0.88 ADORA2A (0.68) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7089485 0.88 ADORA2A (0.70) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7135983 0.88 ADORA2A (0.70) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1090022-B1 2-(PURIN-9-YL)-TETRAHYDROFURAN-3,4-DIOL DERIVATIVES GLAXO GROUP LTD (GB) 2003-08-06 EP claimed
US-6495528-B1 ANTIINFLAMMATORY AGENTS; INHIBITING LEUKOCYTE RECRUITMENT AND ACTIVATION; AGONISTS OF ADENOSINE 2A RECEPTOR SMITHKLINE BEECHAM CORPORATION 2002-12-17 US claimed
EP-1090022-A1 2-(PURIN-9-YL)-TETRAHYDROFURAN-3,4-DIOL DERIVATIVES GLAXO GROUP LIMITED (GB) 2001-04-11 EP claimed
WO-1999067265-A1 2-(PURIN-9-YL)-TETRAHYDROFURAN-3,4-DIOL DERIVATIVES GLAXO GROUP LIMITED (GB) 1999-12-29 WO claimed
EP-1090022-B1 2-(PURIN-9-YL)-TETRAHYDROFURAN-3,4-DIOL DERIVATIVES GLAXO GROUP LTD (GB) 2003-08-06 EP disclosed