SCHEMBL20097018

SCHEMBL20097018

Nc1ncnc2c1ncn2C1OC(CNCn2cnc3c(NCc4ccco4)ncnc32)C(O)C1O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 7/20 0.70
▸ SLC29A1 Q99808 5/20 0.70
▸ TP53 P04637 3/20 0.70
▸ PAX8 Q06710 3/20 0.70
▸ SMN1; SMN2 Q16637 2/20 0.70
▸ MITF O75030 1/20 0.70
▸ LMNA P02545 1/20 0.70
▸ DOT1L Q8TEK3 2/20 0.57
▸ ATM Q13315 1/20 0.55
▸ ADORA2A P29274 2/20 0.55
▸ ADORA2B P29275 2/20 0.55
▸ ADORA1 P30542 2/20 0.55
▸ TDP1 Q9NUW8 1/20 0.52
▸ DPP4 P27487 1/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ SLC28A1 O00337 1/20 0.51
▸ MAP3K7 O43318 1/20 0.51
▸ SLC28A2 O43868 1/20 0.51
▸ GAPDH P04406 1/20 0.51
▸ MAPK1 P28482 1/20 0.51

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
SCHEMBL21311164 0.88 ADORA3 (0.70) ADORA3SLC29A1TP53PAX8SMN1; SMN2
SCHEMBL21311225 0.87 DOT1L (0.54) ADORA3SLC29A1TP53PAX8SMN1; SMN2
SCHEMBL21311165 0.85 DOT1L (0.69) ADORA3SLC29A1SMN1; SMN2DOT1LATM
SCHEMBL20097049 0.84 ADORA3 (0.51) ADORA3SLC29A1TP53PAX8SMN1; SMN2
Kinetin Riboside SCHEMBL14713232 0.83 ADORA3 (1.00) ADORA3SLC29A1TP53PAX8SMN1; SMN2
Kinetin Riboside SCHEMBL14713468 0.83 ADORA3 (1.00) ADORA3SLC29A1TP53PAX8SMN1; SMN2
Kinetin Riboside SCHEMBL217034 0.83 ADORA3 (1.00) ADORA3SLC29A1TP53PAX8SMN1; SMN2
Kinetin Riboside SCHEMBL19583061 0.83 ADORA3 (1.00) ADORA3SLC29A1TP53PAX8SMN1; SMN2
Kinetin Riboside SCHEMBL3190252 0.83 ADORA3 (1.00) ADORA3SLC29A1TP53PAX8SMN1; SMN2
Kinetin Riboside SCHEMBL3339041 0.83 ADORA3 (1.00) ADORA3SLC29A1TP53PAX8SMN1; SMN2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018075947-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF RNA VIRAL INFECTIONS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-04-26 — — WO disclosed
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