SCHEMBL29782858

SCHEMBL29782858

OCCC(CO)n1cnc2c(Cl)ncnc21

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.47
AHCY P23526 3/20 0.40
P2RX7 Q99572 2/20 0.39
HDAC6 Q9UBN7 1/20 0.37
FGFR1 P11362 5/20 0.37
FGFR4 P22455 5/20 0.37
ADORA2A P29274 2/20 0.36
ADORA2B P29275 2/20 0.36
ADORA1 P30542 2/20 0.36
PI4KA P42356 1/20 0.36
PI4K2B Q8TCG2 1/20 0.36
PI4K2A Q9BTU6 1/20 0.36
PI4KB Q9UBF8 1/20 0.36

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
SCHEMBL29782775 0.89 FDPS (0.45) FDPSAHCYP2RX7FGFR1FGFR4
SCHEMBL2072488 0.85 FDPS (0.47) FDPSAHCYP2RX7HDAC6FGFR1
SCHEMBL29782820 0.85 ADA (0.43) FDPSFGFR1FGFR4ADORA2AADORA2B
SCHEMBL29782620 0.83 ADA (0.49) FDPS
SCHEMBL29782798 0.83 ADA (0.49) FDPS
SCHEMBL29782906 0.83 ADA (0.49) FDPS
SCHEMBL11597539 0.83 FDPS (0.45) FDPSAHCYP2RX7HDAC6FGFR1
SCHEMBL29782888 0.82 ADORA2A (0.48) FDPSAHCYP2RX7FGFR1FGFR4
SCHEMBL6693460 0.82 AHCY (0.37) AHCYADORA2AADORA2BADORA1PI4KA
SCHEMBL29782936 0.82 FDPS (0.40) FDPSAHCYP2RX7HDAC6FGFR1

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
CN-112574217-B Acyclic nucleoside lead compound, preparation method thereof and application thereof in pharmacy 河南师范大学 2022-05-20 CN disclosed