SCHEMBL29936504

SCHEMBL29936504

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

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 5/20 0.74
SMN1; SMN2 Q16637 3/20 0.74
ADORA3 P0DMS8 3/20 0.74
ADORA2A P29274 2/20 0.74
ADORA2B P29275 2/20 0.74
DPP4 P27487 1/20 0.74
MEN1 O00255 1/20 0.74
SLC28A1 O00337 1/20 0.74
MAP3K7 O43318 1/20 0.74
SLC28A2 O43868 1/20 0.74
GAPDH P04406 1/20 0.74
MAPK1 P28482 1/20 0.74
STAT6 P42226 1/20 0.74
PI4KA P42356 1/20 0.74
KMT2A Q03164 1/20 0.74
PI4K2B Q8TCG2 1/20 0.74
DOT1L Q8TEK3 1/20 0.74
SLC29A1 Q99808 1/20 0.74
PI4K2A Q9BTU6 1/20 0.74
SLC28A3 Q9HAS3 1/20 0.74

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
SCHEMBL15926827 1.00 ADORA1 (0.74) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL15338536 1.00 ADORA1 (0.74) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL15338502 1.00 ADORA1 (0.74) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL15788449 1.00 ADORA1 (0.74) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL384075 1.00 ADORA1 (0.74) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL41361 1.00 ADORA1 (0.74) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
Trifluoroacetic Acid SCHEMBL4666841 0.91 ADORA1 (0.65) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL24371423 0.91 ADORA3 (0.76) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL3447141 0.91 ADORA1 (0.71) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL4581742 0.90 P2RY1 (0.70) 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-3212201-B1 NUCLEOSIDE KINASE INHIBITORS BCI PHARMA (FR) 2022-10-19 EP claimed