SCHEMBL7596792

SCHEMBL7596792

CCc1cc(C2OC(n3cnc4c(NC(CO)C(C)C)nc(NCCN5CCCCC5)nc43)C(O)C2O)on1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 18/20 0.52
ADORA3 P0DMS8 7/20 0.41
PGK1 P00558 1/20 0.40
PGK2 P07205 1/20 0.40
ADORA1 P30542 1/20 0.40

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
SCHEMBL6839295 1.00 ADORA2A (0.52) ADORA2AADORA3PGK1PGK2ADORA1
SCHEMBL7596797 1.00 ADORA2A (0.52) ADORA2AADORA3PGK1PGK2ADORA1
SCHEMBL6839161 0.99 ADORA2A (0.51) ADORA2AADORA3PGK1PGK2
SCHEMBL7601673 0.99 ADORA2A (0.51) ADORA2AADORA3PGK1PGK2
SCHEMBL6839061 0.92 ADORA2A (0.55) ADORA2AADORA3
SCHEMBL7598650 0.89 ADORA2A (0.54) ADORA2AADORA3PGK1PGK2ADORA1
SCHEMBL7598658 0.89 ADORA2A (0.54) ADORA2AADORA3PGK1PGK2ADORA1
SCHEMBL6838990 0.89 ADORA2A (0.54) ADORA2AADORA3PGK1PGK2ADORA1
SCHEMBL6838902 0.88 ADORA2A (0.54) ADORA2AADORA3PGK1PGK2
SCHEMBL7596794 0.88 ADORA2A (0.39) ADORA2AADORA3ADORA1

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