SCHEMBL20059210

SCHEMBL20059210

CC1CC(n2cnc3c(N)ncnc32)O[C@@H]1CO

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADA P00813 1/20 0.61
▸ ADORA3 P0DMS8 4/20 0.59
▸ ADORA2A P29274 3/20 0.59
▸ ADORA2B P29275 3/20 0.59
▸ PI4KA P42356 2/20 0.59
▸ PI4K2B Q8TCG2 2/20 0.59
▸ PI4K2A Q9BTU6 2/20 0.59
▸ PI4KB Q9UBF8 2/20 0.59
▸ SMN1; SMN2 Q16637 2/20 0.59
▸ ADORA1 P30542 2/20 0.59
▸ DPP4 P27487 1/20 0.59
▸ MEN1 O00255 1/20 0.59
▸ SLC28A1 O00337 1/20 0.59
▸ MAP3K7 O43318 1/20 0.59
▸ SLC28A2 O43868 1/20 0.59
▸ GAPDH P04406 1/20 0.59
▸ MAPK1 P28482 1/20 0.59
▸ STAT6 P42226 1/20 0.59
▸ KMT2A Q03164 1/20 0.59
▸ DOT1L Q8TEK3 1/20 0.59

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
SCHEMBL13790712 1.00 ADA (0.61) ADAADORA3ADORA2AADORA2BPI4KA
SCHEMBL887899 1.00 ADA (0.61) ADAADORA3ADORA2AADORA2BPI4KA
SCHEMBL12378913 0.89 AHCY (0.53) ADAADORA3ADORA2AADORA2BPI4KA
SCHEMBL14064196 0.89 AHCY (0.53) ADAADORA3ADORA2AADORA2BPI4KA
Deoxyadenosine SCHEMBL27603573 0.87 HIF1A (0.72) ADAADORA3ADORA2AADORA2BPI4KA
Deoxyadenosine SCHEMBL23982174 0.87 HIF1A (0.71) ADAADORA3ADORA2AADORA2BPI4KA
Deoxyadenosine SCHEMBL19877 0.87 HIF1A (0.71) ADAADORA3ADORA2AADORA2BPI4KA
Deoxyadenosine SCHEMBL532825 0.87 HIF1A (0.71) ADAADORA3ADORA2AADORA2BPI4KA
Deoxyadenosine SCHEMBL21637036 0.87 HIF1A (0.71) ADAADORA3ADORA2AADORA2BPI4KA
SCHEMBL14565317 0.87 ADA (0.62) ADAADORA3ADORA2AADORA2BPI4KA

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-2906579-B1 2'-CHLORO NUCLEOSIDE ANALOGS FOR HCV INFECTION IDENIX PHARMACEUTICALS LLC (US) 2018-04-18 — — EP disclosed
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