SCHEMBL21782399

SCHEMBL21782399

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

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 3/20 0.69
AHCY P23526 11/20 0.59
ADORA2B P29275 3/20 0.57
ADORA2A P29274 2/20 0.56
ADORA1 P30542 2/20 0.56
DPP4 P27487 1/20 0.56
MEN1 O00255 1/20 0.56
SLC28A1 O00337 1/20 0.56
MAP3K7 O43318 1/20 0.56
SLC28A2 O43868 1/20 0.56
GAPDH P04406 1/20 0.56
MAPK1 P28482 1/20 0.56
STAT6 P42226 1/20 0.56
PI4KA P42356 1/20 0.56
KMT2A Q03164 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
PI4K2B Q8TCG2 1/20 0.56
DOT1L Q8TEK3 1/20 0.56
SLC29A1 Q99808 1/20 0.56
PI4K2A Q9BTU6 1/20 0.56

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
SCHEMBL22393070 0.89 ADORA3 (0.60) ADORA3AHCYADORA2BADORA2AADORA1
5'-Deoxyadenosine SCHEMBL4397160 0.86 AHCY (0.69) ADORA3AHCYADORA2BADORA2AADORA1
5'-Deoxyadenosine SCHEMBL15926823 0.86 AHCY (0.69) ADORA3AHCYADORA2BADORA2AADORA1
5'-Deoxyadenosine SCHEMBL14158945 0.86 AHCY (0.69) ADORA3AHCYADORA2BADORA2AADORA1
5'-Deoxyadenosine SCHEMBL12453581 0.86 AHCY (0.69) ADORA3AHCYADORA2BADORA2AADORA1
5'-Deoxyadenosine SCHEMBL17677150 0.86 AHCY (0.69) ADORA3AHCYADORA2BADORA2AADORA1
5'-Deoxyadenosine SCHEMBL14304623 0.86 AHCY (0.69) ADORA3AHCYADORA2BADORA2AADORA1
5'-Deoxyadenosine SCHEMBL3459552 0.86 AHCY (0.69) ADORA3AHCYADORA2BADORA2AADORA1
5'-Deoxyadenosine SCHEMBL542617 0.86 AHCY (0.69) ADORA3AHCYADORA2BADORA2AADORA1
5'-Deoxyadenosine SCHEMBL3459556 0.86 AHCY (0.69) ADORA3AHCYADORA2BADORA2AADORA1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3682905-B1 MODIFIED NUCLEOSIDES, NUCLEOTIDES, AND NUCLEIC ACIDS, AND USES THEREOF MODERNATX INC (US) 2021-12-01 EP disclosed
EP-3492109-B1 MODIFIED NUCLEOSIDES, NUCLEOTIDES, AND NUCLEIC ACIDS, AND USES THEREOF MODERNATX INC (US) 2020-03-04 EP disclosed