SCHEMBL17825905

SCHEMBL17825905

OC[C@H]1OC(n2cnc3c(NCc4ccc(Cl)cc4)ncnc32)[C@@H](O)[C@@H]1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 5/20 0.82
ADORA3 P0DMS8 2/20 0.82
TP53 P04637 1/20 0.82
TDP1 Q9NUW8 1/20 0.82
ADORA2A P29274 1/20 0.80
ADORA1 P30542 1/20 0.80
PRKAG1 P54619 1/20 0.76
PRKAA1 Q13131 1/20 0.76
PRKAB1 Q9Y478 1/20 0.76

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
SCHEMBL638136 1.00 SLC29A1 (0.82) SLC29A1ADORA3TP53TDP1ADORA2A
SCHEMBL20626338 1.00 SLC29A1 (0.82) SLC29A1ADORA3TP53TDP1ADORA2A
SCHEMBL20626337 1.00 SLC29A1 (0.82) SLC29A1ADORA3TP53TDP1ADORA2A
SCHEMBL17824519 1.00 SLC29A1 (0.82) SLC29A1ADORA3TP53TDP1ADORA2A
SCHEMBL638137 1.00 SLC29A1 (0.82) SLC29A1ADORA3TP53TDP1ADORA2A
SCHEMBL14713267 1.00 SLC29A1 (0.82) SLC29A1ADORA3TP53TDP1ADORA2A
SCHEMBL638475 0.92 SLC29A1 (0.82) SLC29A1ADORA3TP53TDP1ADORA2A
SCHEMBL638474 0.92 SLC29A1 (0.82) SLC29A1ADORA3TP53TDP1ADORA2A
SCHEMBL91169 0.92 SLC29A1 (0.85) SLC29A1ADORA3TP53TDP1ADORA2A
SCHEMBL20626300 0.91 SLC29A1 (0.84) SLC29A1ADORA3TP53TDP1ADORA2A

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