SCHEMBL7573100

SCHEMBL7573100

CC(Nc1nc(N)c2ncn([C@@H]3O[C@H](C(=O)O)[C@H]4OC(C)(C)O[C@H]43)c2n1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 8/20 0.47
ADORA3 P0DMS8 7/20 0.47
ADORA2B P29275 6/20 0.45
ADORA1 P30542 5/20 0.45
PI4KA P42356 1/20 0.42
PI4K2B Q8TCG2 1/20 0.42
PI4K2A Q9BTU6 1/20 0.42
PI4KB Q9UBF8 1/20 0.42

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
SCHEMBL7206725 0.87 PI4KA (0.59) ADORA2AADORA3ADORA2BADORA1PI4KA
SCHEMBL7573120 0.83 ADORA2A (0.65) ADORA2AADORA3ADORA2BADORA1
SCHEMBL13461113 0.81 ADORA3 (0.50) ADORA2AADORA3ADORA2BADORA1PI4KA
SCHEMBL7932677 0.81 ADORA3 (0.50) ADORA2AADORA3ADORA2BADORA1PI4KA
SCHEMBL12568226 0.81 ADORA3 (0.50) ADORA2AADORA3ADORA2BADORA1PI4KA
SCHEMBL13296261 0.81 ADORA3 (0.50) ADORA2AADORA3ADORA2BADORA1PI4KA
SCHEMBL13913203 0.81 PI4KA (0.50) ADORA2AADORA3ADORA2BADORA1PI4KA
SCHEMBL326428 0.81 PI4KA (0.50) ADORA2AADORA3ADORA2BADORA1PI4KA
SCHEMBL13433886 0.81 ADORA3 (0.50) ADORA2AADORA3ADORA2BADORA1PI4KA
SCHEMBL2115858 0.81 ADORA3 (0.50) ADORA2AADORA3ADORA2BADORA1PI4KA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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