SCHEMBL6826848

SCHEMBL6826848

CC(ONCC(O)CO)[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.62
HSP90B1 P14625 2/20 0.62
ADORA3 P0DMS8 5/20 0.54
ADORA2B P29275 4/20 0.54
ADORA2A P29274 2/20 0.54
ADORA1 P30542 2/20 0.54
KMT2A Q03164 2/20 0.54
DOT1L Q8TEK3 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
STAT6 P42226 1/20 0.54
PI4KA P42356 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
PI4K2B Q8TCG2 1/20 0.54
SLC29A1 Q99808 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
SCHEMBL226039 0.81 AHCY (0.63) HSP90B1ADORA3ADORA2BADORA2AADORA1
SCHEMBL3048652 0.81 AHCY (0.61) HSP90AA1HSP90B1ADORA3ADORA2BADORA2A
SCHEMBL23982410 0.80 ADORA3 (0.67) HSP90AA1HSP90B1ADORA3ADORA2BADORA2A
SCHEMBL20419194 0.80 ADORA3 (0.67) HSP90AA1HSP90B1ADORA3ADORA2BADORA2A
SCHEMBL20419119 0.80 ADORA3 (0.67) HSP90AA1HSP90B1ADORA3ADORA2BADORA2A
SCHEMBL22326785 0.80 PRMT5 (0.64) HSP90AA1HSP90B1ADORA3ADORA2BADORA2A
SCHEMBL21413837 0.80 PRMT5 (0.64) HSP90AA1HSP90B1ADORA3ADORA2BADORA2A
SCHEMBL22326787 0.80 PRMT5 (0.64) HSP90AA1HSP90B1ADORA3ADORA2BADORA2A
SCHEMBL18520788 0.80 PRMT5 (0.64) HSP90AA1HSP90B1ADORA3ADORA2BADORA2A
SCHEMBL16300875 0.80 PRMT5 (0.64) HSP90AA1HSP90B1ADORA3ADORA2BADORA2A

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-6740644-B2 ADENOSINE DERIVATIVES, AGONISTS AT THE ADENOSINE A1 RECEPTOR SMITHKLINE BEECHAM CORPORATION 2004-05-25 US claimed