SCHEMBL30138569

SCHEMBL30138569

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 5/20 0.51
▸ AHCY P23526 10/20 0.47
▸ ADORA3 P0DMS8 4/20 0.44
▸ SLC28A1 O00337 2/20 0.44
▸ SLC28A2 O43868 2/20 0.44
▸ DPP4 P27487 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ MAP3K7 O43318 1/20 0.44
▸ GAPDH P04406 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ ADORA2B P29275 1/20 0.44
▸ ADORA1 P30542 1/20 0.44
▸ STAT6 P42226 1/20 0.44
▸ PI4KA P42356 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ PI4K2B Q8TCG2 1/20 0.44
▸ DOT1L Q8TEK3 1/20 0.44
▸ SLC29A1 Q99808 1/20 0.44
▸ PI4K2A Q9BTU6 1/20 0.44

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
SCHEMBL19859704 1.00 ADORA2A (0.51) ADORA2AAHCYADORA3SLC28A1SLC28A2
SCHEMBL25750428 0.92 ADORA2A (0.51) ADORA2AAHCYADORA3PI4KAPI4K2B
SCHEMBL21078466 0.87 AHCY (0.43) ADORA2AAHCYADORA3
SCHEMBL21078589 0.86 NT5E (0.48) ADORA2AAHCYADORA3ADORA2BADORA1
SCHEMBL31228218 0.86 NT5E (0.48) ADORA2AAHCYADORA3ADORA2BADORA1
SCHEMBL16368187 0.86 ADORA2A (0.49) ADORA2AAHCYADORA3SLC28A1SLC28A2
SCHEMBL29722700 0.86 ADORA2A (0.49) ADORA2AAHCYADORA3SLC28A1SLC28A2
SCHEMBL29722780 0.86 ADORA2A (0.56) ADORA2AAHCYADORA3SLC28A1SLC28A2
SCHEMBL16368190 0.86 ADORA2A (0.56) ADORA2AAHCYADORA3SLC28A1SLC28A2
SCHEMBL19859805 0.84 ADORA2A (0.62) ADORA2AAHCYADORA3SLC28A1SLC28A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115916217-A Alkynyl nucleoside analogs for the treatment of hepatitis E 杨森制药公司 2023-04-04 — — CN disclosed
EP-4138850-A1 ALKYNYL NUCLEOSIDE ANALOGS FOR TREATMENT OF HEPATITIS E Janssen Pharmaceuticals, Inc. (US) 2023-03-01 — — EP disclosed
WO-2021209425-A9 ALKYNYL NUCLEOSIDE ANALOGS FOR TREATMENT OF HEPATITIS E Janssen Pharmaceuticals, Inc. (US) 2022-12-22 — — WO disclosed
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