SCHEMBL6839162

SCHEMBL6839162

CCc1cc([C@H]2O[C@@H](n3cnc4c(NC(CC)CC)nc(NC5CCNC5)nc43)[C@H](O)[C@@H]2O)on1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 12/20 0.43
ADORA2B P29275 3/20 0.41
ADORA3 P0DMS8 3/20 0.40
ADORA1 P30542 3/20 0.40

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
SCHEMBL6839164 1.00 ADORA2A (0.43) ADORA2AADORA2BADORA3ADORA1
SCHEMBL6839783 0.90 ADORA2A (0.51) ADORA2AADORA2BADORA3ADORA1
SCHEMBL6839842 0.89 ADORA2A (0.45) ADORA2AADORA2BADORA3ADORA1
SCHEMBL6839126 0.88 ADORA2A (0.52) ADORA2AADORA2BADORA3ADORA1
SCHEMBL6839123 0.88 ADORA2A (0.52) ADORA2AADORA2BADORA3ADORA1
SCHEMBL7568162 0.88 ADORA2A (0.42) ADORA2AADORA2BADORA3ADORA1
SCHEMBL7205326 0.88 ADORA2A (0.42) ADORA2AADORA2BADORA3ADORA1
SCHEMBL7205009 0.87 ADORA2A (0.43) ADORA2AADORA2BADORA3ADORA1
SCHEMBL7205013 0.87 ADORA2A (0.43) ADORA2AADORA2BADORA3ADORA1
Formic Acid SCHEMBL6838965 0.87 ADORA2A (0.49) ADORA2AADORA2BADORA3ADORA1

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 7 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
EP-1051425-B1 2-(PURIN-9-yl)-TETRAHYDROFURAN-3,4-DIOL DERIVATIVES GLAXO GROUP LTD (GB) 2002-10-30 EP disclosed
EP-1051425-A2 2-(PURIN-9-yl)-TETRAHYDROFURAN-3,4-DIOL DERIVATIVES GLAXO GROUP LIMITED (GB) 2000-11-15 EP disclosed
WO-1999038877-A2 2-(PURIN-9-yl)-TETRAHYDROFURAN-3,4-DIOL DERIVATIVES GLAXO GROUP LIMITED (GB) 1999-08-05 WO disclosed