SCHEMBL18512841

SCHEMBL18512841

Cn1cnc2c(ncn2[C@@H]2O[C@H](CO)C(O)[C@@H]2O)c1=N

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.60
MEN1 O00255 1/20 0.60
SLC28A1 O00337 1/20 0.60
MAP3K7 O43318 1/20 0.60
SLC28A2 O43868 1/20 0.60
GAPDH P04406 1/20 0.60
ADORA3 P0DMS8 1/20 0.60
MAPK1 P28482 1/20 0.60
ADORA2A P29274 1/20 0.60
ADORA2B P29275 1/20 0.60
ADORA1 P30542 1/20 0.60
STAT6 P42226 1/20 0.60
PI4KA P42356 1/20 0.60
KMT2A Q03164 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
PI4K2B Q8TCG2 1/20 0.60
DOT1L Q8TEK3 1/20 0.60
SLC29A1 Q99808 1/20 0.60
PI4K2A Q9BTU6 1/20 0.60
SLC28A3 Q9HAS3 1/20 0.60

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
SCHEMBL21114408 1.00 DPP4 (0.60) DPP4MEN1SLC28A1MAP3K7SLC28A2
SCHEMBL19553541 1.00 DPP4 (0.60) DPP4MEN1SLC28A1MAP3K7SLC28A2
SCHEMBL23666509 1.00 DPP4 (0.60) DPP4MEN1SLC28A1MAP3K7SLC28A2
SCHEMBL29715904 0.99 DPP4 (0.59) DPP4MEN1SLC28A1MAP3K7SLC28A2
Ethylene SCHEMBL28799616 0.98 SLC29A1 (0.58) DPP4MEN1SLC28A1MAP3K7SLC28A2
SCHEMBL18512873 0.88 MEN1 (0.56) DPP4MEN1SLC28A1MAP3K7SLC28A2
SCHEMBL20580140 0.88 MEN1 (0.56) DPP4MEN1SLC28A1MAP3K7SLC28A2
SCHEMBL18512875 0.88 MEN1 (0.56) DPP4MEN1SLC28A1MAP3K7SLC28A2
SCHEMBL16160937 0.87 ADORA3 (0.58) DPP4MEN1SLC28A1MAP3K7SLC28A2
SCHEMBL29431652 0.87 MEN1 (0.55) DPP4MEN1SLC28A1MAP3K7SLC28A2

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
US-20170044619-A1 PROFILING CHEMICALLY MODIFIED DNA/RNA UNITS FOR DISEASE AND CANCER DIAGNOSIS THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK 2017-02-16 US disclosed