SCHEMBL17825926

SCHEMBL17825926

OC[C@H]1OC(n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@@H](O)[C@@H]1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 16/20 1.00
ADORA2A P29274 5/20 1.00
ADORA1 P30542 3/20 1.00
ADORA2B P29275 2/20 1.00
TP53 P04637 1/20 0.79
SLC29A1 Q99808 1/20 0.79
TDP1 Q9NUW8 1/20 0.79

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
SCHEMBL639768 1.00 ADORA3 (1.00) ADORA3ADORA2AADORA1ADORA2BTP53
SCHEMBL29386433 1.00 ADORA3 (1.00) ADORA3ADORA2AADORA1ADORA2BTP53
SCHEMBL3068488 1.00 ADORA3 (1.00) ADORA3ADORA2AADORA1ADORA2BTP53
SCHEMBL17824401 1.00 ADORA3 (1.00) ADORA3ADORA2AADORA1ADORA2BTP53
SCHEMBL639767 1.00 ADORA3 (1.00) ADORA3ADORA2AADORA1ADORA2BTP53
SCHEMBL29524548 0.93 ADORA3 (0.87) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL17824486 0.90 ADORA3 (0.82) ADORA3ADORA2AADORA1ADORA2BTP53
SCHEMBL640370 0.90 ADORA3 (0.82) ADORA3ADORA2AADORA1ADORA2BTP53
SCHEMBL15189014 0.90 ADORA3 (0.82) ADORA3ADORA2AADORA1ADORA2BTP53
SCHEMBL640371 0.90 ADORA3 (0.82) ADORA3ADORA2AADORA1ADORA2BTP53

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