SCHEMBL3249984

SCHEMBL3249984

C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1c1occ2c(N)ncnc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 4/20 0.48
▸ HIF1A Q16665 2/20 0.36
▸ PI4KA P42356 2/20 0.35
▸ PI4K2B Q8TCG2 2/20 0.35
▸ PI4K2A Q9BTU6 2/20 0.35
▸ PI4KB Q9UBF8 2/20 0.35
▸ ADORA3 P0DMS8 4/20 0.35
▸ ADA P00813 1/20 0.35
▸ ADORA2B P29275 2/20 0.34
▸ ADORA1 P30542 2/20 0.34
▸ DPP4 P27487 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ SLC28A1 O00337 1/20 0.34
▸ MAP3K7 O43318 1/20 0.34
▸ SLC28A2 O43868 1/20 0.34
▸ GAPDH P04406 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ STAT6 P42226 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL13391578 0.90 ADORA2A (0.40) ADORA2AHIF1API4KAPI4K2BPI4K2A
SCHEMBL264092 0.79 ADORA2A (0.48) ADORA2AHIF1API4KAPI4K2BPI4K2A
SCHEMBL13843324 0.79 ADORA2A (0.48) ADORA2AHIF1API4KAPI4K2BPI4K2A
SCHEMBL13847085 0.79 ADORA2A (0.48) ADORA2AHIF1API4KAPI4K2BPI4K2A
SCHEMBL4962425 0.79 ADORA2A (0.48) ADORA2AHIF1API4KAPI4K2BPI4K2A
SCHEMBL264091 0.79 ADORA2A (0.48) ADORA2AHIF1API4KAPI4K2BPI4K2A
SCHEMBL12261152 0.78 ADORA2A (0.47) ADORA2AHIF1API4KAPI4K2BPI4K2A
Hydrochloric Acid SCHEMBL3305326 0.78 ADORA2A (0.47) ADORA2AHIF1API4KAPI4K2BPI4K2A
SCHEMBL3986874 0.77 ADORA2A (0.48) ADORA2AHIF1API4KAPI4K2BPI4K2A
SCHEMBL13843297 0.77 ADORA2A (0.48) ADORA2AHIF1API4KAPI4K2BPI4K2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010036407-A2 ANTIVIRAL NUCLEOSIDE ANALOGS BIOCRYST PHARMACEUTICALS, INC. (US) 2010-04-01 — — WO disclosed
WO-2010036407-A2 ANTIVIRAL NUCLEOSIDE ANALOGS BIOCRYST PHARMACEUTICALS, INC. (US) 2010-04-01 — — WO disclosed
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