SCHEMBL7603058

SCHEMBL7603058

CCCc1cc(C2OC(n3cnc4c(NC(CC)CC)nc(NCCc5cn(C)cn5)nc43)C(O)C2O)on1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 15/20 0.50
ADORA3 P0DMS8 6/20 0.50
PGK1 P00558 3/20 0.42
PGK2 P07205 3/20 0.42
ADORA2B P29275 5/20 0.42
ADORA1 P30542 3/20 0.42

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
SCHEMBL6838958 1.00 ADORA2A (0.50) ADORA2AADORA3PGK1PGK2ADORA2B
SCHEMBL6839116 0.95 ADORA2A (0.51) ADORA2AADORA3PGK1PGK2ADORA2B
SCHEMBL6838929 0.94 ADORA2A (0.50) ADORA2AADORA3PGK1PGK2ADORA2B
SCHEMBL6835046 0.92 ADORA2A (0.49) ADORA2AADORA3PGK1PGK2ADORA2B
SCHEMBL6835019 0.90 ADORA2A (0.49) ADORA2AADORA3PGK1PGK2ADORA2B
SCHEMBL6945923 0.89 ADORA2A (0.47) ADORA2AADORA3PGK1PGK2ADORA2B
SCHEMBL6839933 0.88 ADORA2A (0.48) ADORA2AADORA3PGK1PGK2ADORA2B
SCHEMBL6839132 0.87 ADORA2A (0.54) ADORA2AADORA3
SCHEMBL7204041 0.86 ADORA2A (0.48) ADORA2AADORA3PGK1PGK2ADORA2B
SCHEMBL7593623 0.86 ADORA2A (0.47) ADORA2AADORA3PGK1PGK2ADORA2B

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