SCHEMBL17825925

SCHEMBL17825925

OC[C@H]1OC(n2cnc3c(NCc4ccc(Cl)cc4O)ncnc32)[C@@H](O)[C@@H]1O

nearest known ligand 0.85

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 1/20 0.77
SLC29A1 Q99808 2/20 0.76
ADORA3 P0DMS8 3/20 0.76
ADORA2A P29274 3/20 0.76
ADORA1 P30542 3/20 0.76
PRKAG1 P54619 1/20 0.70
PRKAA1 Q13131 1/20 0.70
PRKAB1 Q9Y478 1/20 0.70
TSHR P16473 1/20 0.68
NFKB1 P19838 1/20 0.68
STAT6 P42226 1/20 0.68
GMNN O75496 1/20 0.68
BLM P54132 1/20 0.68
PMP22 Q01453 1/20 0.68

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
SCHEMBL641046 1.00 PAX8 (0.77) PAX8SLC29A1ADORA3ADORA2AADORA1
SCHEMBL19583056 1.00 PAX8 (0.77) PAX8SLC29A1ADORA3ADORA2AADORA1
SCHEMBL641047 1.00 PAX8 (0.77) PAX8SLC29A1ADORA3ADORA2AADORA1
SCHEMBL641296 0.93 ADORA3 (0.79) PAX8SLC29A1ADORA3ADORA2AADORA1
SCHEMBL641295 0.93 ADORA3 (0.79) PAX8SLC29A1ADORA3ADORA2AADORA1
SCHEMBL17826007 0.93 ADORA3 (0.79) PAX8SLC29A1ADORA3ADORA2AADORA1
SCHEMBL17824357 0.93 ADORA3 (0.79) PAX8SLC29A1ADORA3ADORA2AADORA1
SCHEMBL640298 0.92 SLC29A1 (0.77) PAX8SLC29A1ADORA3ADORA2AADORA1
SCHEMBL640297 0.92 SLC29A1 (0.77) PAX8SLC29A1ADORA3ADORA2AADORA1
SCHEMBL637903 0.91 ADORA3 (0.79) PAX8SLC29A1ADORA3ADORA2AADORA1

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