SCHEMBL9805214

SCHEMBL9805214

CNc1nc(Cl)nc2c(N[C@@H]3O[C@H](CO)[C@H]4OC(C)(C)O[C@H]43)nc(Cl)nc12

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 4/20 0.35
▸ ADORA1 P30542 4/20 0.35
▸ ADORA2B P29275 3/20 0.35
▸ ADORA2A P29274 3/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ PI4KA P42356 1/20 0.34
▸ PI4K2B Q8TCG2 1/20 0.34
▸ PI4K2A Q9BTU6 1/20 0.34
▸ PI4KB Q9UBF8 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ YTHDC1 Q96MU7 1/20 0.33
▸ GSK3B P49841 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ RXFP1 Q9HBX9 1/20 0.31

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
SCHEMBL9805346 0.91 ADORA3 (0.35) ADORA3ADORA1ADORA2BADORA2AALOX15
SCHEMBL9805407 0.91 ADORA3 (0.35) ADORA3ADORA1ADORA2BADORA2AALOX15
SCHEMBL9805676 0.89 ADORA3 (0.33) ADORA3ADORA1ADORA2BADORA2AALOX15
SCHEMBL9805190 0.88 PI4KA (0.39) ADORA3ADORA1ADORA2BADORA2AALOX15
SCHEMBL9805265 0.88 PI4KA (0.39) ADORA3ADORA1ADORA2BADORA2AALOX15
SCHEMBL9805095 0.87 ADORA3 (0.34) ADORA3ADORA1ADORA2BADORA2AALOX15
SCHEMBL9805110 0.85 PI4KA (0.37) ADORA3ADORA1ADORA2BADORA2AALOX15
SCHEMBL9805184 0.84 GSK3B (0.38) ADORA3ADORA1ADORA2BADORA2AALOX15
SCHEMBL9805093 0.83 PI4KA (0.39) ADORA3ADORA1ADORA2BADORA2AALOX15
SCHEMBL9805225 0.83 ADORA3 (0.35) ADORA3ADORA1ADORA2BADORA2AALOX15

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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