SCHEMBL7113406

SCHEMBL7113406

O=CO[C@H]1[C@@H](O)[C@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(NC4CCCC4)nc32)O[C@@H]1c1nnc[nH]1

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 14/20 0.63
ADORA3 P0DMS8 1/20 0.45
ADORA2B P29275 1/20 0.45
ADORA1 P30542 1/20 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
SCHEMBL7113403 0.95 ADORA2A (0.61) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7114068 0.94 ADORA2A (0.61) ADORA2AADORA3ADORA2BADORA1
Formic Acid SCHEMBL7113401 0.91 ADORA2A (0.68) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7113331 0.90 ADORA2A (0.73) ADORA2A
SCHEMBL7114065 0.89 ADORA2A (0.59) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7117090 0.87 ADORA2A (0.52) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7114211 0.87 ADORA2A (0.64) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7120929 0.85 ADORA2A (0.51) ADORA2AADORA3ADORA2BADORA1
Formic Acid SCHEMBL7114078 0.85 ADORA2A (0.65) ADORA2AADORA3ADORA2BADORA1
Formic Acid SCHEMBL7114062 0.85 ADORA2A (0.65) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1090020-B1 2-(PURIN-9-YL)-TETRAHYDROFURAN-3,4-DIOL DERIVATIVES GLAXO GROUP LTD (GB) 2003-11-05 EP disclosed
EP-1090020-A1 2-(PURIN-9-YL)-TETRAHYDROFURAN-3,4-DIOL DERIVATIVES GLAXO GROUP LIMITED (GB) 2001-04-11 EP disclosed
WO-1999067263-A1 2-(PURIN-9-YL)-TETRAHYDROFURAN-3,4-DIOL DERIVATIVES GLAXO GROUP LIMITED (GB) 1999-12-29 WO disclosed