SCHEMBL6841744

SCHEMBL6841744

CCc1cc([C@H]2O[C@@H](n3cnc4c(NC5CCOCC5)nc(N[C@H](CO)Cc5ccccc5)nc43)[C@H](O)[C@@H]2O)on1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 11/20 0.53
ADORA3 P0DMS8 9/20 0.52
ADORA1 P30542 6/20 0.52
ADORA2B P29275 6/20 0.52

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
SCHEMBL7597469 1.00 ADORA2A (0.53) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL7597473 1.00 ADORA2A (0.53) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL7599833 0.93 ADORA2A (0.52) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL6841727 0.93 ADORA2A (0.52) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL6839047 0.91 ADORA2A (0.45) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL6841753 0.90 ADORA2A (0.50) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL6841625 0.89 ADORA2A (0.56) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL7600922 0.88 ADORA2A (0.55) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL6835030 0.88 ADORA2A (0.55) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL7601344 0.86 ADORA2A (0.56) ADORA2AADORA3ADORA1ADORA2B

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
US-6762170-B1 ANTIINFLAMMATORY AGENTS INHIBIT LEUKOCYTE RECRUITMENT AND ACTIVATION AND ARE AGONISTS OF THE ADENOSINE 2A RECEPTOR; PENDANT ISOXAZOLE; REACTING A 2,6-DIAMINOPURINE WITH A 2-(3-SUBSTITUTED ISOXAZOL-5-YL)TETRAHYDROFURAN-3,4-DIOL SMITHKLINEBEECHAM CORPORATION 2004-07-13 US claimed
EP-1051425-B1 2-(PURIN-9-yl)-TETRAHYDROFURAN-3,4-DIOL DERIVATIVES GLAXO GROUP LTD (GB) 2002-10-30 EP claimed
EP-1051425-A2 2-(PURIN-9-yl)-TETRAHYDROFURAN-3,4-DIOL DERIVATIVES GLAXO GROUP LIMITED (GB) 2000-11-15 EP claimed
WO-1999038877-A2 2-(PURIN-9-yl)-TETRAHYDROFURAN-3,4-DIOL DERIVATIVES GLAXO GROUP LIMITED (GB) 1999-08-05 WO claimed