SCHEMBL28855667

SCHEMBL28855667

CC(O)Cn1cnc2c(N)ncnc21.[MgH2]

nearest known ligand 0.97

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 9/20 0.97
ADORA1 P30542 6/20 0.97
AHCY P23526 7/20 0.69
ALDH1A1 P00352 1/20 0.66
PI4KA P42356 3/20 0.62
PI4K2B Q8TCG2 3/20 0.62
PI4K2A Q9BTU6 3/20 0.62
PI4KB Q9UBF8 3/20 0.62
CYP3A4 P08684 1/20 0.60
ADORA2B P29275 3/20 0.59

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
SCHEMBL1393316 0.98 ADORA2A (1.00) ADORA2AADORA1AHCYALDH1A1PI4KA
SCHEMBL29496348 0.98 ADORA2A (1.00) ADORA2AADORA1AHCYALDH1A1PI4KA
SCHEMBL904363 0.98 ADORA2A (1.00) ADORA2AADORA1AHCYALDH1A1PI4KA
SCHEMBL5810639 0.98 ADORA2A (1.00) ADORA2AADORA1AHCYALDH1A1PI4KA
SCHEMBL16504492 0.87 ADORA2A (0.74) ADORA2AADORA1AHCYALDH1A1PI4KA
SCHEMBL16040569 0.86 ADORA2A (0.72) ADORA2AADORA1AHCYALDH1A1PI4KA
SCHEMBL16603993 0.86 AHCY (0.85) ADORA2AADORA1AHCYALDH1A1PI4KA
SCHEMBL12620928 0.86 ADORA2A (0.77) ADORA2AADORA1AHCYALDH1A1PI4KA
SCHEMBL8815696 0.84 ADORA2A (0.75) ADORA2AADORA1AHCYALDH1A1PI4KA
SCHEMBL25861 0.84 ADORA2A (0.75) ADORA2AADORA1AHCYALDH1A1PI4KA

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-107573381-A A kind of synthetic method of tenofovir 广东肇庆星湖生物科技股份有限公司 2018-01-12 CN disclosed