SCHEMBL7104836

SCHEMBL7104836

CCn1cnc([C@H]2O[C@@H](n3cnc4c(NCC(c5ccccc5)c5ccccc5)nc(NCC(O)c5ccccc5)nc43)[C@H](O)[C@@H]2O)n1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 13/20 0.55
ADORA3 P0DMS8 6/20 0.55
ADORA2B P29275 6/20 0.55
ADORA1 P30542 6/20 0.55

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
SCHEMBL7104824 0.89 ADORA2A (0.50) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7104831 0.89 ADORA2A (0.54) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7104833 0.89 ADORA2A (0.54) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7099001 0.88 ADORA3 (0.58) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7103334 0.88 ADORA2A (0.58) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7102053 0.87 ADORA2A (0.73) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7103693 0.86 ADORA2A (0.61) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7099033 0.86 ADORA2A (0.70) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7099038 0.86 ADORA2A (0.70) ADORA2AADORA3ADORA2BADORA1
Formic Acid SCHEMBL7104818 0.86 ADORA2A (0.53) 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-1090023-B1 2-(PURIN-9-YL)-TETRAHYDROFURAN-3,4-DIOL DERIVATIVES GLAXO GROUP LTD (GB) 2003-09-10 EP claimed
EP-1090023-A1 2-(PURIN-9-YL)-TETRAHYDROFURAN-3,4-DIOL DERIVATIVES GLAXO GROUP LIMITED (GB) 2001-04-11 EP claimed
WO-1999067264-A1 2-(PURIN-9-YL)-TETRAHYDROFURAN-3,4-DIOL DERIVATIVES GLAXO GROUP LIMITED (GB) 1999-12-29 WO claimed