SCHEMBL6838972

SCHEMBL6838972

CCc1cc([C@H]2O[C@@H](n3cnc4c(NC(CC)CC)nc(NC5CCCC5)nc43)[C@H](O)[C@@H]2OC=O)on1

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 14/20 0.45
ADORA3 P0DMS8 8/20 0.44
ADORA1 P30542 6/20 0.44
ADORA2B P29275 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
SCHEMBL6839268 0.95 ADORA2A (0.40) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL6838968 0.94 ADORA2A (0.44) ADORA2AADORA3ADORA1ADORA2B
Formic Acid SCHEMBL6838965 0.90 ADORA2A (0.49) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL6839783 0.89 ADORA2A (0.51) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL6839266 0.89 ADORA2A (0.39) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL7211364 0.88 ADORA2A (0.45) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL7574650 0.88 ADORA2A (0.45) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL7595823 0.85 ADORA1 (0.48) ADORA2AADORA3ADORA1ADORA2B
Formic Acid SCHEMBL6839270 0.85 ADORA2A (0.43) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL7211360 0.84 ADORA2A (0.43) 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 disclosed
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