SCHEMBL17825995

SCHEMBL17825995

OC[C@H]1OC(n2cnc3c(NCc4ccccc4O)ncnc32)[C@@H](O)[C@@H]1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 3/20 1.00
ADORA3 P0DMS8 5/20 0.81
ADORA2A P29274 2/20 0.81
ADORA1 P30542 2/20 0.81
TSHR P16473 1/20 0.81
NFKB1 P19838 1/20 0.81
STAT6 P42226 1/20 0.81
GMNN O75496 1/20 0.81
BLM P54132 1/20 0.81
PMP22 Q01453 1/20 0.81
TP53 P04637 3/20 0.77
SLC29A1 Q99808 3/20 0.77
TDP1 Q9NUW8 1/20 0.77
PRKAG1 P54619 1/20 0.72
PRKAA1 Q13131 1/20 0.72
PRKAB1 Q9Y478 1/20 0.72
SMN1; SMN2 Q16637 1/20 0.70
MITF O75030 1/20 0.70
LMNA P02545 1/20 0.70
ADORA2B P29275 1/20 0.70

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
SCHEMBL20626412 1.00 PAX8 (1.00) PAX8ADORA3ADORA2AADORA1TSHR
SCHEMBL638142 1.00 PAX8 (1.00) PAX8ADORA3ADORA2AADORA1TSHR
SCHEMBL20626411 1.00 PAX8 (1.00) PAX8ADORA3ADORA2AADORA1TSHR
SCHEMBL29552250 1.00 PAX8 (1.00) PAX8ADORA3ADORA2AADORA1TSHR
SCHEMBL638141 1.00 PAX8 (1.00) PAX8ADORA3ADORA2AADORA1TSHR
SCHEMBL14713259 1.00 PAX8 (1.00) PAX8ADORA3ADORA2AADORA1TSHR
SCHEMBL17824388 1.00 PAX8 (1.00) PAX8ADORA3ADORA2AADORA1TSHR
SCHEMBL30411549 0.99 PAX8 (0.98) PAX8ADORA3ADORA2AADORA1TSHR
SCHEMBL637914 0.90 PAX8 (0.81) PAX8ADORA3ADORA2AADORA1TSHR
SCHEMBL639334 0.90 PAX8 (0.81) PAX8ADORA3ADORA2AADORA1TSHR

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