SCHEMBL17825944

SCHEMBL17825944

OC[C@H]1OC(n2cnc3c(NCc4c(F)ccc(Cl)c4F)ncnc32)[C@@H](O)[C@@H]1O

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.67
ADORA2A P29274 1/20 0.67
ADORA1 P30542 1/20 0.67
SLC29A1 Q99808 3/20 0.66
TP53 P04637 1/20 0.66
TDP1 Q9NUW8 1/20 0.66
PAX8 Q06710 1/20 0.63

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
SCHEMBL17824360 1.00 ADORA3 (0.67) ADORA3ADORA2AADORA1SLC29A1TP53
SCHEMBL639459 1.00 ADORA3 (0.67) ADORA3ADORA2AADORA1SLC29A1TP53
SCHEMBL639458 1.00 ADORA3 (0.67) ADORA3ADORA2AADORA1SLC29A1TP53
SCHEMBL640003 0.93 SLC29A1 (0.70) ADORA3ADORA2AADORA1SLC29A1TP53
SCHEMBL640004 0.93 SLC29A1 (0.70) ADORA3ADORA2AADORA1SLC29A1TP53
SCHEMBL640329 0.91 ADORA3 (0.69) ADORA3ADORA2AADORA1SLC29A1TP53
SCHEMBL17826001 0.91 ADORA3 (0.69) ADORA3ADORA2AADORA1SLC29A1TP53
SCHEMBL640330 0.91 ADORA3 (0.69) ADORA3ADORA2AADORA1SLC29A1TP53
SCHEMBL17824517 0.91 ADORA3 (0.69) ADORA3ADORA2AADORA1SLC29A1TP53
SCHEMBL638862 0.90 SLC29A1 (0.62) ADORA3ADORA2AADORA1SLC29A1TP53

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