SCHEMBL5822306

SCHEMBL5822306

Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](OC2CCCCO2)[C@H]1F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 4/20 0.53
PI4KA P42356 3/20 0.53
PI4K2B Q8TCG2 3/20 0.53
PI4K2A Q9BTU6 3/20 0.53
PI4KB Q9UBF8 3/20 0.53
ADORA1 P30542 2/20 0.53
MEN1 O00255 2/20 0.53
MAPK1 P28482 2/20 0.53
KMT2A Q03164 2/20 0.53
DPP4 P27487 1/20 0.53
SLC28A1 O00337 1/20 0.53
MAP3K7 O43318 1/20 0.53
SLC28A2 O43868 1/20 0.53
GAPDH P04406 1/20 0.53
ADORA2A P29274 1/20 0.53
ADORA2B P29275 1/20 0.53
STAT6 P42226 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
DOT1L Q8TEK3 1/20 0.53
SLC29A1 Q99808 1/20 0.53

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
SCHEMBL5822309 1.00 ADORA3 (0.53) ADORA3PI4KAPI4K2BPI4K2API4KB
SCHEMBL9218364 0.88 ADORA1 (0.62) ADORA3PI4KAPI4K2BPI4K2API4KB
SCHEMBL22875578 0.88 ADORA1 (0.62) ADORA3PI4KAPI4K2BPI4K2API4KB
SCHEMBL23547713 0.81 ADORA3 (0.64) ADORA3PI4KAPI4K2BPI4K2API4KB
SCHEMBL22855773 0.81 ADORA3 (0.64) ADORA3PI4KAPI4K2BPI4K2API4KB
SCHEMBL24371508 0.81 ADORA3 (0.64) ADORA3PI4KAPI4K2BPI4K2API4KB
SCHEMBL6908435 0.80 AHCY (0.55) ADORA3PI4KAPI4K2BPI4K2API4KB
SCHEMBL6893039 0.80 AHCY (0.55) ADORA3PI4KAPI4K2BPI4K2API4KB
SCHEMBL25389125 0.79 ADORA3 (0.58) ADORA3PI4KAPI4K2BPI4K2API4KB
SCHEMBL24377184 0.79 ADORA3 (0.58) ADORA3PI4KAPI4K2BPI4K2API4KB

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-2006038865-A1 NUCLEOTIDE DERIVATIVES FOR THE TREATMENT OF TYPE 2 DIABETES AND OTHER DISORDERS BETAGENON AB (SE) 2006-04-13 WO claimed