SCHEMBL17825980

SCHEMBL17825980

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

nearest known ligand 0.81

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 3/20 0.72
ADORA3 P0DMS8 3/20 0.72
ADORA2A P29274 2/20 0.72
ADORA1 P30542 2/20 0.72
PRKAG1 P54619 1/20 0.71
PRKAA1 Q13131 1/20 0.71
PRKAB1 Q9Y478 1/20 0.71
TP53 P04637 1/20 0.68
TDP1 Q9NUW8 1/20 0.68
ADORA2B P29275 1/20 0.67

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
SCHEMBL638440 1.00 SLC29A1 (0.72) SLC29A1ADORA3ADORA2AADORA1PRKAG1
SCHEMBL19582947 1.00 SLC29A1 (0.72) SLC29A1ADORA3ADORA2AADORA1PRKAG1
SCHEMBL638441 1.00 SLC29A1 (0.72) SLC29A1ADORA3ADORA2AADORA1PRKAG1
SCHEMBL19583143 0.91 PRKAG1 (0.72) SLC29A1ADORA3ADORA2AADORA1PRKAG1
SCHEMBL638173 0.91 PRKAG1 (0.72) SLC29A1ADORA3ADORA2AADORA1PRKAG1
SCHEMBL17825981 0.91 PRKAG1 (0.72) SLC29A1ADORA3ADORA2AADORA1PRKAG1
SCHEMBL638174 0.91 PRKAG1 (0.72) SLC29A1ADORA3ADORA2AADORA1PRKAG1
SCHEMBL640299 0.90 ADORA3 (0.79) SLC29A1ADORA3ADORA2AADORA1PRKAG1
SCHEMBL640300 0.90 ADORA3 (0.79) SLC29A1ADORA3ADORA2AADORA1PRKAG1
SCHEMBL638556 0.89 PRKAG1 (0.72) SLC29A1ADORA3ADORA2AADORA1PRKAG1

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