SCHEMBL6839787

SCHEMBL6839787

CCc1cc([C@H]2O[C@@H](n3cnc4c(NCC(c5ccccc5)c5ccccc5)nc(N(CO)CCc5ccccc5)nc43)[C@H](O)[C@@H]2OC=O)on1

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 15/20 0.45
ADORA3 P0DMS8 6/20 0.45
ADORA2B P29275 6/20 0.45
ADORA1 P30542 6/20 0.45

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
Formic Acid SCHEMBL6839784 0.92 ADORA2A (0.48) ADORA2AADORA3ADORA2BADORA1
SCHEMBL6839241 0.91 ADORA2A (0.49) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7105004 0.90 ADORA2A (0.46) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7103630 0.87 ADORA2A (0.46) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7104792 0.86 ADORA2A (0.46) ADORA2AADORA3ADORA2BADORA1
SCHEMBL6839929 0.86 ADORA2A (0.39) ADORA2AADORA2BADORA1
SCHEMBL6839114 0.85 ADORA2A (0.52) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7231166 0.84 ADORA2A (0.46) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7102138 0.84 ADORA2A (0.46) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7099579 0.84 ADORA2A (0.45) 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
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