SCHEMBL9805237

SCHEMBL9805237

Nc1ncnc2c(N[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)ncnc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADK P55263 1/20 0.65
▸ HIF1A Q16665 2/20 0.48
▸ ADORA3 P0DMS8 2/20 0.48
▸ DPP4 P27487 1/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ SLC28A1 O00337 1/20 0.48
▸ MAP3K7 O43318 1/20 0.48
▸ SLC28A2 O43868 1/20 0.48
▸ GAPDH P04406 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ ADORA2A P29274 1/20 0.48
▸ ADORA2B P29275 1/20 0.48
▸ ADORA1 P30542 1/20 0.48
▸ STAT6 P42226 1/20 0.48
▸ PI4KA P42356 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ PI4K2B Q8TCG2 1/20 0.48
▸ DOT1L Q8TEK3 1/20 0.48
▸ SLC29A1 Q99808 1/20 0.48

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
SCHEMBL9805553 1.00 ADK (0.65) ADKHIF1AADORA3DPP4MEN1
SCHEMBL9805082 0.88 ADK (0.57) ADKHIF1AADORA3DPP4MEN1
SCHEMBL4867832 0.86 ADK (0.68) ADKHIF1AADORA3DPP4MEN1
SCHEMBL14028811 0.86 ADK (0.68) ADKHIF1AADORA3DPP4MEN1
SCHEMBL9805171 0.86 ADK (0.55) ADKHIF1AADORA3DPP4MEN1
SCHEMBL9805157 0.85 ADK (0.57) ADKHIF1AADORA3MEN1ADORA2A
SCHEMBL17612673 0.84 ADK (0.65) ADKHIF1AADORA3DPP4MEN1
SCHEMBL17612652 0.84 ADK (0.65) ADKHIF1AADORA3DPP4MEN1
SCHEMBL17612669 0.84 ADK (0.65) ADKHIF1AADORA3DPP4MEN1
SCHEMBL23019739 0.83 ADK (0.64) ADKHIF1AADORA3DPP4MEN1

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-5041542-A Antitumor-anticarcinogenic agents NUCLEIC ACID RESEARCH INSTITUTE (US) 1991-08-20 — — US disclosed
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