SCHEMBL4661777

SCHEMBL4661777

CC(NO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N)ncnc21)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 2/20 0.64
▸ DOT1L Q8TEK3 4/20 0.64
▸ ADORA3 P0DMS8 3/20 0.64
▸ DPP4 P27487 1/20 0.64
▸ MEN1 O00255 1/20 0.64
▸ SLC28A1 O00337 1/20 0.64
▸ MAP3K7 O43318 1/20 0.64
▸ SLC28A2 O43868 1/20 0.64
▸ GAPDH P04406 1/20 0.64
▸ MAPK1 P28482 1/20 0.64
▸ ADORA2A P29274 1/20 0.64
▸ ADORA2B P29275 1/20 0.64
▸ STAT6 P42226 1/20 0.64
▸ PI4KA P42356 1/20 0.64
▸ KMT2A Q03164 1/20 0.64
▸ SMN1; SMN2 Q16637 1/20 0.64
▸ PI4K2B Q8TCG2 1/20 0.64
▸ SLC29A1 Q99808 1/20 0.64
▸ PI4K2A Q9BTU6 1/20 0.64
▸ SLC28A3 Q9HAS3 1/20 0.64

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
SCHEMBL10585758 0.83 ADORA1 (0.68) ADORA1DOT1LADORA3DPP4MEN1
SCHEMBL24371814 0.83 ADORA3 (0.71) ADORA1DOT1LADORA3DPP4MEN1
Adenosine SCHEMBL8846491 0.83 ADORA3 (0.81) ADORA1DOT1LADORA3DPP4MEN1
SCHEMBL5977903 0.82 ADORA3 (0.67) ADORA1DOT1LADORA3DPP4MEN1
SCHEMBL5977911 0.82 ADORA3 (0.67) ADORA1DOT1LADORA3DPP4MEN1
SCHEMBL31381449 0.82 ADORA1 (0.72) ADORA1DOT1LADORA3DPP4MEN1
SCHEMBL9186652 0.82 ADORA1 (0.72) ADORA1DOT1LADORA3DPP4MEN1
SCHEMBL23547680 0.82 ADORA1 (0.72) ADORA1DOT1LADORA3DPP4MEN1
SCHEMBL11428960 0.82 ADORA1 (0.72) ADORA1DOT1LADORA3DPP4MEN1
SCHEMBL24538798 0.82 ADORA3 (0.75) ADORA1DOT1LADORA3DPP4MEN1

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-1212339-B1 2'-O-ACETAMIDO MODIFIED MONOMERS AND OLIGOMERS ISIS PHARMACEUTICALS INC (US) 2008-12-31 — — EP disclosed
Send feedback