SCHEMBL17825907

SCHEMBL17825907

OC[C@H]1OC(n2cnc3c(NCc4c(O)cccc4Cl)ncnc32)[C@@H](O)[C@@H]1O

nearest known ligand 0.76

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 3/20 0.74
ADORA3 P0DMS8 6/20 0.71
ADORA2A P29274 3/20 0.71
ADORA1 P30542 3/20 0.71
TP53 P04637 3/20 0.69
SLC29A1 Q99808 3/20 0.69
TDP1 Q9NUW8 1/20 0.69
PRKAG1 P54619 1/20 0.68
PRKAA1 Q13131 1/20 0.68
PRKAB1 Q9Y478 1/20 0.68
SMN1; SMN2 Q16637 1/20 0.66
MITF O75030 1/20 0.66
LMNA P02545 1/20 0.66
ADORA2B P29275 1/20 0.66

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
SCHEMBL638779 1.00 PAX8 (0.74) PAX8ADORA3ADORA2AADORA1TP53
SCHEMBL19582985 1.00 PAX8 (0.74) PAX8ADORA3ADORA2AADORA1TP53
SCHEMBL638780 1.00 PAX8 (0.74) PAX8ADORA3ADORA2AADORA1TP53
SCHEMBL638488 0.95 ADORA3 (0.77) PAX8ADORA3ADORA2AADORA1TP53
SCHEMBL638489 0.95 ADORA3 (0.77) PAX8ADORA3ADORA2AADORA1TP53
SCHEMBL639019 0.94 PAX8 (0.81) PAX8ADORA3ADORA2AADORA1TP53
SCHEMBL19583103 0.94 PAX8 (0.81) PAX8ADORA3ADORA2AADORA1TP53
SCHEMBL639020 0.94 PAX8 (0.81) PAX8ADORA3ADORA2AADORA1TP53
SCHEMBL639873 0.90 ADORA3 (0.75) PAX8ADORA3ADORA2AADORA1TP53
SCHEMBL639874 0.90 ADORA3 (0.75) PAX8ADORA3ADORA2AADORA1TP53

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