SCHEMBL7601673

SCHEMBL7601673

CCc1cc([C@H]2O[C@@H](n3cnc4c(NC(CO)C(C)C)nc(NCCN5CCCC5)nc43)[C@H](O)[C@@H]2O)on1

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 17/20 0.51
ADORA3 P0DMS8 8/20 0.41
PGK1 P00558 1/20 0.40
PGK2 P07205 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
SCHEMBL6839161 1.00 ADORA2A (0.51) ADORA2AADORA3PGK1PGK2
SCHEMBL7596792 0.99 ADORA2A (0.52) ADORA2AADORA3PGK1PGK2
SCHEMBL6839295 0.99 ADORA2A (0.52) ADORA2AADORA3PGK1PGK2
SCHEMBL7596797 0.99 ADORA2A (0.52) ADORA2AADORA3PGK1PGK2
SCHEMBL6839061 0.91 ADORA2A (0.55) ADORA2AADORA3
SCHEMBL7601697 0.89 ADORA2A (0.53) ADORA2AADORA3PGK1PGK2
SCHEMBL6835017 0.89 ADORA2A (0.53) ADORA2AADORA3PGK1PGK2
SCHEMBL7598658 0.88 ADORA2A (0.54) ADORA2AADORA3PGK1PGK2
SCHEMBL7598650 0.88 ADORA2A (0.54) ADORA2AADORA3PGK1PGK2
SCHEMBL6838990 0.88 ADORA2A (0.54) ADORA2AADORA3PGK1PGK2

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