SCHEMBL6693455

SCHEMBL6693455

[O]CC(CCO)n1cnc2c(CO)ncnc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHCY P23526 3/20 0.36
ADORA2A P29274 3/20 0.34
ADORA1 P30542 3/20 0.34
ADORA2B P29275 2/20 0.34
PI4KA P42356 1/20 0.34
PI4K2B Q8TCG2 1/20 0.34
PI4K2A Q9BTU6 1/20 0.34
PI4KB Q9UBF8 1/20 0.34
ADA P00813 4/20 0.33
PDE2A O00408 3/20 0.33
CYP3A4 P08684 2/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
ALOX15 P16050 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL6691673 0.90 AHCY (0.35) AHCYADORA2AADORA1ADORA2BPI4KA
SCHEMBL6693460 0.89 AHCY (0.37) AHCYADORA2AADORA1ADORA2BPI4KA
SCHEMBL6687661 0.80 HPRT1 (0.48) AHCYCYP3A4
SCHEMBL6904115 0.79 AHCY (0.33) AHCYADORA2AADORA1ADORA2BPI4KA
SCHEMBL6691656 0.79 AHCY (0.36) AHCYADORA2AADORA1ADORA2BPI4KA
SCHEMBL6691651 0.76 AHCY (0.37) AHCYADORA2AADORA1ADORA2BPI4KA
SCHEMBL6904198 0.74 AHCY (0.33) AHCY
SCHEMBL6693196 0.74 ADORA2A (0.52) AHCYADORA2AADORA1ADORA2BPI4KA
SCHEMBL5080086 0.74 ADORA2A (0.59) AHCYADORA2AADORA1ADORA2BPI4KA
SCHEMBL6905047 0.72 FGFR1 (0.45) AHCYCYP3A4

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
WO-2004106350-A1 NUCLEOSIDE ANALOGS AS VIRAL POLYMERASE INHIBITORS BIOCRYST PHARMACEUTICAL, INC. (US) 2004-12-09 WO claimed