SCHEMBL17825982

SCHEMBL17825982

OC[C@H]1OC(n2cnc3c(NCc4ccc(F)cc4Cl)ncnc32)[C@@H](O)[C@@H]1O

nearest known ligand 0.85

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 2/20 0.76
PAX8 Q06710 1/20 0.69
ADORA3 P0DMS8 3/20 0.68
ADORA2A P29274 3/20 0.68
ADORA1 P30542 3/20 0.68
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
SCHEMBL17824413 1.00 SLC29A1 (0.76) SLC29A1PAX8ADORA3ADORA2AADORA1
SCHEMBL638711 1.00 SLC29A1 (0.76) SLC29A1PAX8ADORA3ADORA2AADORA1
SCHEMBL638712 1.00 SLC29A1 (0.76) SLC29A1PAX8ADORA3ADORA2AADORA1
SCHEMBL640298 0.92 SLC29A1 (0.77) SLC29A1PAX8ADORA3ADORA2AADORA1
SCHEMBL640297 0.92 SLC29A1 (0.77) SLC29A1PAX8ADORA3ADORA2AADORA1
SCHEMBL638795 0.91 PAX8 (0.80) SLC29A1PAX8ADORA3ADORA2AADORA1
SCHEMBL638796 0.91 PAX8 (0.80) SLC29A1PAX8ADORA3ADORA2AADORA1
SCHEMBL639296 0.91 PAX8 (0.71) SLC29A1PAX8ADORA3ADORA2AADORA1
SCHEMBL639295 0.91 PAX8 (0.71) SLC29A1PAX8ADORA3ADORA2AADORA1
SCHEMBL17825965 0.91 PAX8 (0.80) SLC29A1PAX8ADORA3ADORA2AADORA1

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