SCHEMBL7103859

SCHEMBL7103859

Cc1nnc([C@H]2O[C@@H](n3cnc4c(NCC(c5ccccc5)c5ccccc5)nc(NCCc5cn(C)cn5)nc43)[C@H](OC=O)[C@@H]2O)[nH]1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 19/20 0.55
ADORA3 P0DMS8 7/20 0.55
ADORA2B P29275 3/20 0.48
ADORA1 P30542 3/20 0.48

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
SCHEMBL7103863 0.95 ADORA2A (0.55) ADORA2AADORA3ADORA2BADORA1
Formic Acid SCHEMBL7103855 0.91 ADORA2A (0.57) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7099511 0.91 ADORA2A (0.58) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7114623 0.90 ADORA2A (0.55) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7103539 0.88 ADORA2A (0.63) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7230742 0.87 ADORA2A (0.55) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7103810 0.86 ADORA2A (0.51) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7114625 0.85 ADORA2A (0.55) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7203801 0.85 ADORA2A (0.55) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7100389 0.85 ADORA2A (0.55) 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 1 patent. 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 disclosed