SCHEMBL7208447

SCHEMBL7208447

CCc1noc([C@H]2O[C@@H](n3cnc4c(NC(CC)CC)nc(NCCc5cn(C)cn5)nc43)[C@H](O)[C@@H]2O)n1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 12/20 0.47
ADORA3 P0DMS8 6/20 0.47
PGK1 P00558 3/20 0.42
PGK2 P07205 3/20 0.42
ADORA2B P29275 5/20 0.41
ADORA1 P30542 3/20 0.41

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 SCHEMBL7202921 0.97 ADORA2A (0.47) ADORA2AADORA3PGK1PGK2ADORA2B
SCHEMBL7204041 0.92 ADORA2A (0.48) ADORA2AADORA3PGK1PGK2ADORA2B
SCHEMBL7569528 0.92 ADORA2A (0.45) ADORA2AADORA3PGK1PGK2ADORA2B
SCHEMBL7569532 0.90 ADORA2A (0.45) ADORA2AADORA3PGK1PGK2ADORA2B
SCHEMBL7204152 0.90 ADORA2A (0.47) ADORA2AADORA3PGK1PGK2ADORA2B
Formic Acid SCHEMBL7207900 0.89 ADORA2A (0.47) ADORA2AADORA3PGK1PGK2ADORA2B
SCHEMBL7206657 0.89 PGK1 (0.46) ADORA2AADORA3PGK1PGK2ADORA2B
SCHEMBL7205590 0.88 PGK1 (0.58) ADORA2AADORA3PGK1PGK2ADORA2B
SCHEMBL7205046 0.88 PGK1 (0.45) ADORA2AADORA3PGK1PGK2ADORA2B
SCHEMBL6839116 0.88 ADORA2A (0.51) ADORA2AADORA3PGK1PGK2ADORA2B

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6610665-B1 Treatment of inflammatory diseases, asthma or chronic obstructive pulmonary disease SMITHKLINE BEECHAM CORPORATION 2003-08-26 US claimed
EP-1056759-B1 2-(PURIN-9-YL) -TETRAHYDROFURAN-3, 4-DIOL DERIVATIVES GLAXO GROUP LTD (GB) 2002-09-04 EP claimed
US-6610665-B1 Treatment of inflammatory diseases, asthma or chronic obstructive pulmonary disease SMITHKLINE BEECHAM CORPORATION 2003-08-26 US disclosed
EP-1056759-B1 2-(PURIN-9-YL) -TETRAHYDROFURAN-3, 4-DIOL DERIVATIVES GLAXO GROUP LTD (GB) 2002-09-04 EP disclosed
EP-1056759-A1 2-(PURIN-9-YL) -TETRAHYDROFURAN-3, 4-DIOL DERIVATIVES GLAXO GROUP LIMITED (GB) 2000-12-06 EP disclosed
WO-1999041267-A1 2-(PURIN-9-YL) -TETRAHYDROFURAN-3, 4-DIOL DERIVATIVES GLAXO GROUP LIMITED (GB) 1999-08-19 WO disclosed