SCHEMBL17825902

SCHEMBL17825902

OC[C@H]1OC(n2cnc3c(NCc4ccc(O)c(O)c4)ncnc32)[C@@H](O)[C@@H]1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRKAG1 P54619 1/20 1.00
PRKAA1 Q13131 1/20 1.00
PRKAB1 Q9Y478 1/20 1.00
SLC29A1 Q99808 3/20 0.76
ADORA3 P0DMS8 3/20 0.76
TP53 P04637 1/20 0.76
TDP1 Q9NUW8 1/20 0.76
ADORA2A P29274 2/20 0.74
ADORA1 P30542 2/20 0.74
ADORA2B P29275 1/20 0.74
PAX8 Q06710 1/20 0.72

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
SCHEMBL20626291 1.00 PRKAG1 (1.00) PRKAG1PRKAA1PRKAB1SLC29A1ADORA3
SCHEMBL639762 1.00 PRKAG1 (1.00) PRKAG1PRKAA1PRKAB1SLC29A1ADORA3
SCHEMBL639763 1.00 PRKAG1 (1.00) PRKAG1PRKAA1PRKAB1SLC29A1ADORA3
SCHEMBL14713280 1.00 PRKAG1 (1.00) PRKAG1PRKAA1PRKAB1SLC29A1ADORA3
SCHEMBL19582987 1.00 PRKAG1 (1.00) PRKAG1PRKAA1PRKAB1SLC29A1ADORA3
SCHEMBL12579545 1.00 PRKAG1 (1.00) PRKAG1PRKAA1PRKAB1SLC29A1ADORA3
SCHEMBL14714015 1.00 PRKAG1 (1.00) PRKAG1PRKAA1PRKAB1SLC29A1ADORA3
SCHEMBL640410 0.92 PRKAG1 (0.85) PRKAG1PRKAA1PRKAB1SLC29A1ADORA3
SCHEMBL640409 0.92 PRKAG1 (0.85) PRKAG1PRKAA1PRKAB1SLC29A1ADORA3
SCHEMBL20626252 0.91 PRKAG1 (0.83) PRKAG1PRKAA1PRKAB1SLC29A1ADORA3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3229772-A1 6-ARYL-9-GLYCOSYLPURINES AND USE THEREOF Univerzita Palackého v Olomouci (CZ) 2017-10-18 EP claimed
WO-2016091236-A1 6-ARYL-9-GLYCOSYLPURINES AND USE THEREOF UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2016-06-16 WO claimed
EP-3229772-A1 6-ARYL-9-GLYCOSYLPURINES AND USE THEREOF Univerzita Palackého v Olomouci (CZ) 2017-10-18 EP disclosed
WO-2016091236-A1 6-ARYL-9-GLYCOSYLPURINES AND USE THEREOF UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2016-06-16 WO disclosed