SCHEMBL17825929

SCHEMBL17825929

OC[C@H]1OC(n2cnc3c(NCc4c(F)cccc4C(F)(F)F)ncnc32)[C@@H](O)[C@@H]1O

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 5/20 0.66
TP53 P04637 3/20 0.66
SLC29A1 Q99808 3/20 0.66
TDP1 Q9NUW8 1/20 0.66
PAX8 Q06710 3/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
MITF O75030 1/20 0.63
LMNA P02545 1/20 0.63
ADORA2A P29274 2/20 0.63
ADORA1 P30542 2/20 0.63
ADORA2B P29275 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
SCHEMBL637856 1.00 ADORA3 (0.66) ADORA3TP53SLC29A1TDP1PAX8
SCHEMBL17824448 1.00 ADORA3 (0.66) ADORA3TP53SLC29A1TDP1PAX8
SCHEMBL637855 1.00 ADORA3 (0.66) ADORA3TP53SLC29A1TDP1PAX8
SCHEMBL639299 0.92 ADORA3 (0.74) ADORA3TP53SLC29A1TDP1PAX8
SCHEMBL639298 0.92 ADORA3 (0.74) ADORA3TP53SLC29A1TDP1PAX8
SCHEMBL638772 0.89 PAX8 (0.74) ADORA3TP53SLC29A1TDP1PAX8
SCHEMBL638773 0.89 PAX8 (0.74) ADORA3TP53SLC29A1TDP1PAX8
SCHEMBL638336 0.88 PAX8 (0.71) ADORA3TP53SLC29A1TDP1PAX8
SCHEMBL638337 0.88 PAX8 (0.71) ADORA3TP53SLC29A1TDP1PAX8
SCHEMBL639384 0.88 SLC29A1 (0.70) ADORA3TP53SLC29A1TDP1PAX8

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 2 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