SCHEMBL7601070

SCHEMBL7601070

CCc1cc(C2OC(n3cnc4c(NCCC5CCCCC5)nc(NCCc5cn(C)cn5)nc43)C(O)C2O)on1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 12/20 0.53
ADORA2B P29275 2/20 0.48
PGK1 P00558 3/20 0.44
PGK2 P07205 3/20 0.44
ADORA3 P0DMS8 4/20 0.44
ADORA1 P30542 3/20 0.43

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
SCHEMBL6838984 1.00 ADORA2A (0.53) ADORA2AADORA2BPGK1PGK2ADORA3
SCHEMBL6839736 0.90 PGK1 (0.45) ADORA2AADORA2BPGK1PGK2ADORA3
SCHEMBL7205090 0.89 ADORA2A (0.52) ADORA2AADORA2BPGK1PGK2ADORA3
SCHEMBL6839116 0.87 ADORA2A (0.51) ADORA2AADORA2BPGK1PGK2ADORA3
SCHEMBL6839242 0.86 PGK1 (0.52) ADORA2AADORA2BPGK1PGK2ADORA3
SCHEMBL7454631 0.85 ADORA2A (0.53) ADORA2AADORA2BPGK1PGK2ADORA3
SCHEMBL6839781 0.84 ADORA3 (0.53) ADORA2AADORA2BADORA3ADORA1
SCHEMBL7603058 0.82 ADORA2A (0.50) ADORA2AADORA2BPGK1PGK2ADORA3
SCHEMBL6838958 0.82 ADORA2A (0.50) ADORA2AADORA2BPGK1PGK2ADORA3
SCHEMBL6838929 0.82 ADORA2A (0.50) ADORA2AADORA2BPGK1PGK2ADORA3

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-1051425-B1 2-(PURIN-9-yl)-TETRAHYDROFURAN-3,4-DIOL DERIVATIVES GLAXO GROUP LTD (GB) 2002-10-30 EP claimed