SCHEMBL7598531

SCHEMBL7598531

CCc1cc([C@H]2O[C@@H](n3cnc4c(NCCC(C)(C)C)nc(NCCN5CCCCC5)nc43)[C@@H](O)[C@H]2O)on1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 16/20 0.53
PGK1 P00558 3/20 0.42
PGK2 P07205 3/20 0.42
ADORA3 P0DMS8 6/20 0.41

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
SCHEMBL6835061 1.00 ADORA2A (0.53) ADORA2APGK1PGK2ADORA3
SCHEMBL8087286 1.00 ADORA2A (0.53) ADORA2APGK1PGK2ADORA3
SCHEMBL7639455 1.00 ADORA2A (0.53) ADORA2APGK1PGK2ADORA3
SCHEMBL6839382 0.94 ADORA2A (0.46) ADORA2APGK1PGK2ADORA3
SCHEMBL6839113 0.89 PGK1 (0.57) ADORA2APGK1PGK2ADORA3
SCHEMBL7595603 0.89 PGK1 (0.57) ADORA2APGK1PGK2ADORA3
SCHEMBL6839061 0.89 ADORA2A (0.55) ADORA2AADORA3
SCHEMBL7596097 0.88 ADORA2A (0.58) ADORA2APGK1PGK2ADORA3
SCHEMBL7594742 0.88 ADORA2A (0.58) ADORA2APGK1PGK2ADORA3
SCHEMBL6839057 0.88 ADORA2A (0.58) ADORA2APGK1PGK2ADORA3

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