SCHEMBL20419166

SCHEMBL20419166

CC[C@@H]1CC(O)[C@H](n2cnc3c(N)ncnc32)O1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHCY P23526 5/20 0.58
ADORA3 P0DMS8 3/20 0.57
DPP4 P27487 1/20 0.56
MEN1 O00255 1/20 0.56
SLC28A1 O00337 1/20 0.56
MAP3K7 O43318 1/20 0.56
SLC28A2 O43868 1/20 0.56
GAPDH P04406 1/20 0.56
MAPK1 P28482 1/20 0.56
ADORA2A P29274 1/20 0.56
ADORA2B P29275 1/20 0.56
ADORA1 P30542 1/20 0.56
STAT6 P42226 1/20 0.56
PI4KA P42356 1/20 0.56
KMT2A Q03164 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
PI4K2B Q8TCG2 1/20 0.56
DOT1L Q8TEK3 1/20 0.56
SLC29A1 Q99808 1/20 0.56
PI4K2A Q9BTU6 1/20 0.56

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
SCHEMBL15395472 1.00 AHCY (0.58) AHCYADORA3DPP4MEN1SLC28A1
SCHEMBL20419175 1.00 AHCY (0.58) AHCYADORA3DPP4MEN1SLC28A1
Cordycepin SCHEMBL20419244 0.89 ADORA3 (0.63) AHCYADORA3DPP4MEN1SLC28A1
Cordycepin SCHEMBL22081032 0.89 ADORA3 (0.63) AHCYADORA3DPP4MEN1SLC28A1
Cordycepin SCHEMBL21562220 0.89 ADORA3 (0.63) AHCYADORA3DPP4MEN1SLC28A1
SCHEMBL23982337 0.89 ADORA3 (0.57) AHCYADORA3DPP4MEN1SLC28A1
Cordycepin SCHEMBL15177650 0.89 ADORA3 (0.63) AHCYADORA3DPP4MEN1SLC28A1
Cordycepin SCHEMBL23735980 0.89 ADORA3 (0.63) AHCYADORA3DPP4MEN1SLC28A1
Cordycepin SCHEMBL24220702 0.89 ADORA3 (0.63) AHCYADORA3DPP4MEN1SLC28A1
Cordycepin SCHEMBL21591024 0.89 ADORA3 (0.63) AHCYADORA3DPP4MEN1SLC28A1

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-2018133854-A1 ADENOSINE ANALOG AND ITS USE IN REGULATING THE CIRCADIAN CLOCK NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2018-07-26 WO disclosed