SCHEMBL7457645

SCHEMBL7457645

Cn1cnc(CCNc2nc(NCCC(C)(C)C)c3ncn([C@@H]4O[C@H](c5nnn(C)n5)[C@@H](O)[C@H]4O)c3n2)c1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 3/20 0.46
PGK2 P07205 3/20 0.46
ADORA3 P0DMS8 16/20 0.44
ADORA2A P29274 16/20 0.44
ADORA1 P30542 14/20 0.44
ADORA2B P29275 13/20 0.44

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 SCHEMBL7224022 0.97 PGK1 (0.44) PGK1PGK2ADORA3ADORA2AADORA1
SCHEMBL5086058 0.92 PGK1 (0.45) PGK1PGK2ADORA3ADORA2AADORA1
SCHEMBL7455750 0.92 ADORA3 (0.54) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL7224029 0.90 ADORA2A (0.41) PGK1PGK2ADORA3ADORA2AADORA1
SCHEMBL7224024 0.90 ADORA2A (0.41) PGK1PGK2ADORA3ADORA2AADORA1
SCHEMBL7454558 0.90 PGK1 (0.60) PGK1PGK2ADORA3ADORA2AADORA1
Formic Acid SCHEMBL7226417 0.89 ADORA2A (0.42) PGK1PGK2ADORA3ADORA2AADORA1
Acetic Acid SCHEMBL7224889 0.89 ADORA3 (0.51) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL7454631 0.89 ADORA2A (0.53) PGK1PGK2ADORA3ADORA2AADORA1
SCHEMBL7456399 0.88 PGK1 (0.53) PGK1PGK2ADORA3ADORA2AADORA1

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
EP-0948509-B1 2-(PURIN-9-YL)-TETRAHYDROFURAN-3,4-DIOL DERIVATIVES GLAXO GROUP LTD (GB) 2002-10-16 EP claimed
US-6426337-B1 ANTIINFLAMMATORY AGENTS SMITHKLINE BEECHAM CORPORATION 2002-07-30 US claimed
EP-0948509-A1 2-(PURIN-9-YL)-TETRAHYDROFURAN-3,4-DIOL DERIVATIVES GLAXO GROUP LIMITED (GB) 1999-10-13 EP disclosed
WO-1998028319-A1 2-(PURIN-9-YL)-TETRAHYDROFURAN-3,4-DIOL DERIVATIVES GLAXO GROUP LIMITED (GB) 1998-07-02 WO disclosed