SCHEMBL7205046

SCHEMBL7205046

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

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 3/20 0.45
PGK2 P07205 3/20 0.45
ADORA2A P29274 14/20 0.44
ADORA3 P0DMS8 6/20 0.44
ADORA2B P29275 4/20 0.40
ADORA1 P30542 4/20 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
SCHEMBL7205590 0.90 PGK1 (0.58) PGK1PGK2ADORA2AADORA3ADORA2B
SCHEMBL7205090 0.89 ADORA2A (0.52) PGK1PGK2ADORA2AADORA3ADORA2B
SCHEMBL7208447 0.88 ADORA2A (0.47) PGK1PGK2ADORA2AADORA3ADORA2B
SCHEMBL6839736 0.88 PGK1 (0.45) PGK1PGK2ADORA2AADORA3ADORA2B
SCHEMBL7206736 0.87 ADORA2A (0.59) PGK1PGK2ADORA2AADORA3ADORA2B
SCHEMBL7206326 0.87 ADORA3 (0.49) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7206324 0.87 ADORA3 (0.49) ADORA2AADORA3ADORA2BADORA1
Formic Acid SCHEMBL7202921 0.85 ADORA2A (0.47) PGK1PGK2ADORA2AADORA3ADORA2B
SCHEMBL7204082 0.83 ADORA2A (0.58) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7457645 0.83 PGK1 (0.46) PGK1PGK2ADORA2AADORA3ADORA2B

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-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