SCHEMBL7520311

SCHEMBL7520311

CCn1nnc([C@H]2O[C@@H](n3cnc4c(NCCC(C)(C)C)nc(NC(CO)Cc5ccccc5)nc43)[C@H](O)[C@@H]2O)n1

nearest known ligand 0.76

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 20/20 0.76
ADORA3 P0DMS8 19/20 0.76
ADORA1 P30542 12/20 0.76
ADORA2B P29275 11/20 0.76

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
SCHEMBL7520314 1.00 ADORA2A (0.76) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL7463149 1.00 ADORA2A (0.76) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL5093481 0.93 ADORA2A (0.79) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL5088922 0.91 ADORA2A (0.81) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL7230669 0.91 ADORA2A (0.63) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL5093513 0.89 ADORA2A (0.72) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL5094352 0.88 ADORA2A (0.73) ADORA2AADORA3ADORA1ADORA2B
Gw-328267 SCHEMBL1983126 0.86 ADORA2A (1.00) ADORA2AADORA3ADORA1ADORA2B
Gw-328267 SCHEMBL13268529 0.86 ADORA2A (1.00) ADORA2AADORA3ADORA1ADORA2B
Gw-328267 SCHEMBL1979140 0.86 ADORA2A (1.00) ADORA2AADORA3ADORA1ADORA2B

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 1 patent. 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