SCHEMBL7105211

SCHEMBL7105211

CCn1cnc([C@H]2O[C@@H](n3cnc4c(NCCc5ccccc5-c5ccccc5)nc(NCCc5ccccn5)nc43)[C@H](O)[C@@H]2O)n1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 3/20 0.51
PGK2 P07205 3/20 0.51
ADORA2A P29274 9/20 0.44
ADORA3 P0DMS8 9/20 0.44
ADORA2B P29275 8/20 0.44
ADORA1 P30542 8/20 0.44

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
SCHEMBL7103334 0.87 ADORA2A (0.58) PGK1PGK2ADORA2AADORA3ADORA2B
SCHEMBL7103693 0.78 ADORA2A (0.61) PGK1PGK2ADORA2AADORA3ADORA2B
SCHEMBL5088085 0.75 ADORA2A (0.56) PGK1PGK2ADORA2AADORA3ADORA2B
SCHEMBL7104836 0.74 ADORA2A (0.55) ADORA2AADORA3ADORA2BADORA1
SCHEMBL5089261 0.74 ADORA3 (0.46) PGK1PGK2ADORA2AADORA3ADORA2B
SCHEMBL7100359 0.73 ADORA2A (0.57) PGK1PGK2ADORA2AADORA3ADORA2B
SCHEMBL7102053 0.73 ADORA2A (0.73) ADORA2AADORA3ADORA2BADORA1
SCHEMBL6839859 0.73 PGK1 (0.53) PGK1PGK2ADORA2AADORA3ADORA2B
SCHEMBL7105160 0.72 ADORA2A (0.57) PGK1PGK2ADORA2AADORA3ADORA2B
SCHEMBL7455077 0.72 PGK1 (0.57) PGK1PGK2ADORA2AADORA3ADORA2B

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-1090023-B1 2-(PURIN-9-YL)-TETRAHYDROFURAN-3,4-DIOL DERIVATIVES GLAXO GROUP LTD (GB) 2003-09-10 EP claimed