SCHEMBL6381371

SCHEMBL6381371

Nc1ncnc2c1ncn2Cc1cc(O)c(O)c(O)c1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 9/20 0.63
PI4KA P42356 3/20 0.63
PI4K2B Q8TCG2 3/20 0.63
PI4K2A Q9BTU6 3/20 0.63
PI4KB Q9UBF8 3/20 0.63
ADORA1 P30542 4/20 0.56
AHCY P23526 8/20 0.54
ADORA2B P29275 1/20 0.52
ALDH1A1 P00352 1/20 0.52

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
SCHEMBL288237 0.80 ADORA2A (0.71) ADORA2API4KAPI4K2BPI4K2API4KB
9-Benzyl-9H-Adenine SCHEMBL104932 0.78 ADORA2A (1.00) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL13268696 0.77 ADORA2A (0.56) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL21788552 0.77 ADORA2A (0.76) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL3395858 0.76 HSP90AA1 (0.62) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL22533851 0.75 ADORA2A (0.74) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL6659204 0.75 ADORA2A (0.74) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL22533785 0.75 ADORA2A (0.68) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL11811272 0.75 ADORA2A (0.64) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL29424732 0.75 ADORA2A (0.68) ADORA2API4KAPI4K2BPI4K2API4KB

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
EP-1501850-A2 NUCLEOSIDE DERIVATIVES FOR TREATING HEPATITIS C VIRUS INFECTION GENELABS TECHNOLOGIES, INC. (US) 2005-02-02 EP claimed
WO-2003093290-A2 NUCLEOSIDE DERIVATIVES FOR TREATING HEPATITIS C VIRUS INFECTION GENELABS TECHNOLOGIES, INC. (US) 2003-11-13 WO claimed