SCHEMBL4649944

SCHEMBL4649944

Nc1ncnc2c1ncn2[C@@H]1O[C@H](COC[C@@H](O)CO)[C@@H](O)[C@H]1O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 3/20 0.68
SMN1; SMN2 Q16637 3/20 0.68
ADORA3 P0DMS8 3/20 0.68
ADORA2A P29274 2/20 0.68
ADORA2B P29275 2/20 0.68
DPP4 P27487 1/20 0.68
MEN1 O00255 1/20 0.68
SLC28A1 O00337 1/20 0.68
MAP3K7 O43318 1/20 0.68
SLC28A2 O43868 1/20 0.68
GAPDH P04406 1/20 0.68
MAPK1 P28482 1/20 0.68
STAT6 P42226 1/20 0.68
PI4KA P42356 1/20 0.68
KMT2A Q03164 1/20 0.68
PI4K2B Q8TCG2 1/20 0.68
DOT1L Q8TEK3 1/20 0.68
SLC29A1 Q99808 1/20 0.68
PI4K2A Q9BTU6 1/20 0.68
SLC28A3 Q9HAS3 1/20 0.68

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 1.00 ADORA1 (0.68) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL7896879 0.90 ADORA3 (0.58) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL10602068 0.89 ADORA1 (0.66) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL13268740 0.88 ADORA1 (0.67) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL13268759 0.87 P2RY1 (0.58) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL6829376 0.87 ADORA1 (0.66) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL8328542 0.86 ADORA1 (0.74) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL10980597 0.86 P2RY1 (0.77) ADORA1SMN1; SMN2P2RY1P2RY2SRC
SCHEMBL2270709 0.85 ADORA1 (0.73) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL3450680 0.85 ADORA1 (0.68) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B

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
EP-1392375-B1 COMPOSITION AND USE OF SUBSTANCES FOR STABILISING AMINO ACIDS CONTAINING SULPHUR WIELAND HEINRICH (DE) 2008-09-10 EP claimed