SCHEMBL9805171

SCHEMBL9805171

Nc1ncnc2c(N[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)nc(Cl)nc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADK P55263 1/20 0.55
▸ HSPA8 P11142 3/20 0.45
▸ HSPA5 P11021 2/20 0.45
▸ RXFP1 Q9HBX9 2/20 0.43
▸ HIF1A Q16665 2/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ ADORA3 P0DMS8 2/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ ADORA2A P29274 2/20 0.43
▸ ADORA2B P29275 2/20 0.43
▸ ADORA1 P30542 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ SLC28A2 O43868 2/20 0.43
▸ DPP4 P27487 1/20 0.43
▸ SLC28A1 O00337 1/20 0.43
▸ MAP3K7 O43318 1/20 0.43
▸ GAPDH P04406 1/20 0.43
▸ STAT6 P42226 1/20 0.43
▸ PI4KA P42356 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL9805082 0.88 ADK (0.57) ADKHSPA8HSPA5RXFP1HIF1A
SCHEMBL9805553 0.86 ADK (0.65) ADKHSPA8HSPA5RXFP1HIF1A
SCHEMBL9805237 0.86 ADK (0.65) ADKHSPA8HSPA5RXFP1HIF1A
SCHEMBL9805198 0.82 PI4KA (0.49) ADKHSPA8HSPA5RXFP1ADORA3
SCHEMBL14028811 0.78 ADK (0.68) ADKHSPA8HSPA5HIF1AMEN1
SCHEMBL4867832 0.78 ADK (0.68) ADKHSPA8HSPA5HIF1AMEN1
SCHEMBL9805128 0.78 GSK3B (0.49) ADKRXFP1MEN1ADORA3MAPK1
SCHEMBL17612673 0.76 ADK (0.65) ADKHSPA8HSPA5RXFP1HIF1A
SCHEMBL17612669 0.76 ADK (0.65) ADKHSPA8HSPA5RXFP1HIF1A
SCHEMBL17612652 0.76 ADK (0.65) ADKHSPA8HSPA5RXFP1HIF1A

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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