SCHEMBL7896879

SCHEMBL7896879

CO[C@@H]1[C@H](O)[C@@H](COCC(O)CO)O[C@H]1n1cnc2c(N)ncnc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 4/20 0.58
ADORA1 P30542 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.54
DPP4 P27487 1/20 0.54
MEN1 O00255 1/20 0.54
SLC28A1 O00337 1/20 0.54
MAP3K7 O43318 1/20 0.54
SLC28A2 O43868 1/20 0.54
GAPDH P04406 1/20 0.54
MAPK1 P28482 1/20 0.54
ADORA2A P29274 1/20 0.54
ADORA2B P29275 1/20 0.54
STAT6 P42226 1/20 0.54
PI4KA P42356 1/20 0.54
KMT2A Q03164 1/20 0.54
PI4K2B Q8TCG2 1/20 0.54
DOT1L Q8TEK3 1/20 0.54
SLC29A1 Q99808 1/20 0.54
PI4K2A Q9BTU6 1/20 0.54
SLC28A3 Q9HAS3 1/20 0.54

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
SCHEMBL10600624 0.90 ADORA1 (0.68) ADORA3ADORA1SMN1; SMN2DPP4MEN1
SCHEMBL4649944 0.90 ADORA1 (0.68) ADORA3ADORA1SMN1; SMN2DPP4MEN1
SCHEMBL7902955 0.86 ADORA1 (0.58) ADORA3ADORA1SMN1; SMN2RNASELDNPH1
SCHEMBL21999233 0.85 ADORA3 (0.64) ADORA3ADORA1SMN1; SMN2DPP4MEN1
SCHEMBL12360837 0.85 ADORA3 (0.64) ADORA3ADORA1SMN1; SMN2DPP4MEN1
SCHEMBL12376383 0.85 ADORA3 (0.64) ADORA3ADORA1SMN1; SMN2DPP4MEN1
SCHEMBL8626012 0.85 ADORA3 (0.64) ADORA3ADORA1SMN1; SMN2DPP4MEN1
SCHEMBL6223541 0.85 ADORA3 (0.63) ADORA3ADORA1SMN1; SMN2DPP4MEN1
SCHEMBL23050294 0.84 ADORA3 (0.75) ADORA3ADORA1SMN1; SMN2DPP4MEN1
SCHEMBL12746919 0.84 ADORA3 (0.75) ADORA3ADORA1SMN1; SMN2DPP4MEN1

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-RE37077-E1 Adenosine derivatives and pharmaceutical composition thereof NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 2001-02-27 US disclosed