SCHEMBL7757115

SCHEMBL7757115

CCn1nnc([C@H]2OC(n3cnc4c(N)nc(N[C@H](CO)Cc5ccccc5)nc43)C(OC(C)=O)[C@H]2OC(C)=O)n1

nearest known ligand 0.78

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 20/20 0.78
ADORA3 P0DMS8 18/20 0.78
ADORA1 P30542 11/20 0.78
ADORA2B P29275 10/20 0.78

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
SCHEMBL7651022 1.00 ADORA2A (0.78) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL7651032 1.00 ADORA2A (0.78) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL7757121 1.00 ADORA2A (0.78) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL7651038 1.00 ADORA2A (0.78) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL7088617 0.89 ADORA2A (0.79) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL1978553 0.89 ADORA2A (0.79) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL1982788 0.89 ADORA2A (0.79) ADORA2AADORA3ADORA1ADORA2B
Gw-328267 SCHEMBL1983126 0.87 ADORA2A (1.00) ADORA2AADORA3ADORA1ADORA2B
Gw-328267 SCHEMBL1979140 0.87 ADORA2A (1.00) ADORA2AADORA3ADORA1ADORA2B
Gw-328267 SCHEMBL13268529 0.87 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1090022-A1 2-(PURIN-9-YL)-TETRAHYDROFURAN-3,4-DIOL DERIVATIVES GLAXO GROUP LIMITED (GB) 2001-04-11 EP disclosed
WO-1999067265-A1 2-(PURIN-9-YL)-TETRAHYDROFURAN-3,4-DIOL DERIVATIVES GLAXO GROUP LIMITED (GB) 1999-12-29 WO disclosed