SCHEMBL17825968

SCHEMBL17825968

Nc1ccc(CNc2ncnc3c2ncn3C2O[C@H](CO)[C@@H](O)[C@@H]2O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 5/20 1.00
LMNA P02545 1/20 0.82
MAPT P10636 1/20 0.82
NPSR1 Q6W5P4 1/20 0.82
CYP3A4 P08684 1/20 0.82
TSHR P16473 1/20 0.82
MAPK1 P28482 1/20 0.82
TP53 P04637 1/20 0.82
ADORA3 P0DMS8 1/20 0.82
TDP1 Q9NUW8 1/20 0.82
PRKAG1 P54619 1/20 0.76
PRKAA1 Q13131 1/20 0.76
PRKAB1 Q9Y478 1/20 0.76

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
SCHEMBL20626395 1.00 SLC29A1 (1.00) SLC29A1LMNAMAPTNPSR1CYP3A4
SCHEMBL20626394 1.00 SLC29A1 (1.00) SLC29A1LMNAMAPTNPSR1CYP3A4
SCHEMBL19583027 1.00 SLC29A1 (1.00) SLC29A1LMNAMAPTNPSR1CYP3A4
SCHEMBL14713256 1.00 SLC29A1 (1.00) SLC29A1LMNAMAPTNPSR1CYP3A4
SCHEMBL639975 1.00 SLC29A1 (1.00) SLC29A1LMNAMAPTNPSR1CYP3A4
SCHEMBL639974 1.00 SLC29A1 (1.00) SLC29A1LMNAMAPTNPSR1CYP3A4
SCHEMBL30716127 1.00 SLC29A1 (1.00) SLC29A1LMNAMAPTNPSR1CYP3A4
SCHEMBL91169 0.92 SLC29A1 (0.85) SLC29A1TP53ADORA3TDP1PRKAG1
SCHEMBL20626300 0.91 SLC29A1 (0.84) SLC29A1TP53ADORA3TDP1PRKAG1
SCHEMBL15189026 0.91 SLC29A1 (0.84) SLC29A1TP53ADORA3TDP1PRKAG1

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