SCHEMBL17825987

SCHEMBL17825987

COc1cccc(CNc2ncnc3c2ncn3C2O[C@H](CO)[C@@H](O)[C@@H]2O)c1O

nearest known ligand 0.87

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 1/20 0.75
ADORA3 P0DMS8 3/20 0.73
ADORA2A P29274 2/20 0.73
ADORA1 P30542 2/20 0.73
TSHR P16473 1/20 0.73
NFKB1 P19838 1/20 0.73
STAT6 P42226 1/20 0.73
GMNN O75496 1/20 0.73
BLM P54132 1/20 0.73
PMP22 Q01453 1/20 0.73
SLC29A1 Q99808 2/20 0.67
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
SCHEMBL31238365 1.00 PAX8 (0.75) PAX8ADORA3ADORA2AADORA1TSHR
SCHEMBL638870 1.00 PAX8 (0.75) PAX8ADORA3ADORA2AADORA1TSHR
SCHEMBL19583018 1.00 PAX8 (0.75) PAX8ADORA3ADORA2AADORA1TSHR
SCHEMBL638869 1.00 PAX8 (0.75) PAX8ADORA3ADORA2AADORA1TSHR
SCHEMBL25170514 0.99 PAX8 (0.73) PAX8ADORA3ADORA2AADORA1TSHR
SCHEMBL17825912 0.93 ADORA3 (0.79) PAX8ADORA3ADORA2AADORA1TSHR
SCHEMBL639745 0.93 ADORA3 (0.79) PAX8ADORA3ADORA2AADORA1TSHR
SCHEMBL17824470 0.93 ADORA3 (0.79) PAX8ADORA3ADORA2AADORA1TSHR
SCHEMBL639746 0.93 ADORA3 (0.79) PAX8ADORA3ADORA2AADORA1TSHR
SCHEMBL638765 0.92 ADORA3 (0.72) 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