SCHEMBL17826007

SCHEMBL17826007

OC[C@H]1OC(n2cnc3c(NCc4cc(Cl)ccc4O)ncnc32)[C@@H](O)[C@@H]1O

nearest known ligand 0.82

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 4/20 0.79
ADORA2A P29274 3/20 0.79
ADORA1 P30542 3/20 0.79
PAX8 Q06710 1/20 0.77
SLC29A1 Q99808 3/20 0.73
PRKAG1 P54619 1/20 0.73
PRKAA1 Q13131 1/20 0.73
PRKAB1 Q9Y478 1/20 0.73
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
TP53 P04637 1/20 0.67
TDP1 Q9NUW8 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
SCHEMBL641296 1.00 ADORA3 (0.79) ADORA3ADORA2AADORA1PAX8SLC29A1
SCHEMBL641295 1.00 ADORA3 (0.79) ADORA3ADORA2AADORA1PAX8SLC29A1
SCHEMBL17824357 1.00 ADORA3 (0.79) ADORA3ADORA2AADORA1PAX8SLC29A1
SCHEMBL17825925 0.93 PAX8 (0.77) ADORA3ADORA2AADORA1PAX8SLC29A1
SCHEMBL19583056 0.93 PAX8 (0.77) ADORA3ADORA2AADORA1PAX8SLC29A1
SCHEMBL641046 0.93 PAX8 (0.77) ADORA3ADORA2AADORA1PAX8SLC29A1
SCHEMBL641047 0.93 PAX8 (0.77) ADORA3ADORA2AADORA1PAX8SLC29A1
SCHEMBL640073 0.92 ADORA3 (0.80) ADORA3ADORA2AADORA1PAX8SLC29A1
SCHEMBL640074 0.92 ADORA3 (0.80) ADORA3ADORA2AADORA1PAX8SLC29A1
SCHEMBL637903 0.91 ADORA3 (0.79) ADORA3ADORA2AADORA1PAX8SLC29A1

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