SCHEMBL17825933

SCHEMBL17825933

COc1cccc(CNc2ncnc3c2ncn3C2O[C@H](CO)[C@@H](O)[C@@H]2O)c1

nearest known ligand 0.81

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 7/20 0.77
ADORA1 P30542 4/20 0.77
ADORA2A P29274 3/20 0.77
ADORA2B P29275 1/20 0.77
TP53 P04637 1/20 0.75
SLC29A1 Q99808 1/20 0.75
TDP1 Q9NUW8 1/20 0.75
PRKAG1 P54619 1/20 0.71
PRKAA1 Q13131 1/20 0.71
PRKAB1 Q9Y478 1/20 0.71

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
SCHEMBL17824381 1.00 ADORA3 (0.77) ADORA3ADORA1ADORA2AADORA2BTP53
SCHEMBL638672 1.00 ADORA3 (0.77) ADORA3ADORA1ADORA2AADORA2BTP53
SCHEMBL638673 1.00 ADORA3 (0.77) ADORA3ADORA1ADORA2AADORA2BTP53
SCHEMBL25170475 0.99 ADORA3 (0.75) ADORA3ADORA1ADORA2AADORA2BTP53
SCHEMBL640553 0.92 ADORA3 (0.75) ADORA3ADORA1ADORA2AADORA2BTP53
SCHEMBL640552 0.92 ADORA3 (0.75) ADORA3ADORA1ADORA2AADORA2BTP53
SCHEMBL27881272 0.92 ADORA2A (0.76) ADORA3ADORA1ADORA2A
SCHEMBL639730 0.91 ADORA3 (0.72) ADORA3ADORA1ADORA2AADORA2BTP53
SCHEMBL19582992 0.91 ADORA3 (0.72) ADORA3ADORA1ADORA2AADORA2BTP53
SCHEMBL639729 0.91 ADORA3 (0.72) ADORA3ADORA1ADORA2AADORA2BTP53

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