SCHEMBL29135599

SCHEMBL29135599

CC(Cl)Cn1cnc2c(N)ncnc21

nearest known ligand 0.73

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 11/20 0.73
ADORA1 P30542 6/20 0.73
AHCY P23526 5/20 0.67
PI4KA P42356 4/20 0.64
PI4K2B Q8TCG2 4/20 0.64
PI4K2A Q9BTU6 4/20 0.64
PI4KB Q9UBF8 4/20 0.64
ADORA2B P29275 3/20 0.60
ALDH1A1 P00352 1/20 0.59
CYP3A4 P08684 1/20 0.57

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
SCHEMBL29135598 1.00 ADORA2A (0.73) ADORA2AADORA1AHCYPI4KAPI4K2B
SCHEMBL12620928 0.87 ADORA2A (0.77) ADORA2AADORA1AHCYPI4KAPI4K2B
SCHEMBL8815696 0.86 ADORA2A (0.75) ADORA2AADORA1AHCYPI4KAPI4K2B
SCHEMBL25861 0.86 ADORA2A (0.75) ADORA2AADORA1AHCYPI4KAPI4K2B
SCHEMBL5810639 0.84 ADORA2A (1.00) ADORA2AADORA1AHCYPI4KAPI4K2B
SCHEMBL17162883 0.84 ADORA2A (0.73) ADORA2AADORA1AHCYPI4KAPI4K2B
SCHEMBL1982410 0.84 ADORA2A (0.73) ADORA2AADORA1AHCYPI4KAPI4K2B
SCHEMBL29496348 0.84 ADORA2A (1.00) ADORA2AADORA1AHCYPI4KAPI4K2B
SCHEMBL904363 0.84 ADORA2A (1.00) ADORA2AADORA1AHCYPI4KAPI4K2B
SCHEMBL17162884 0.84 ADORA2A (0.73) ADORA2AADORA1AHCYPI4KAPI4K2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116735774-B Method for detecting content of genotoxic impurities in propionofovir fumarate bulk drug 湖南一格制药有限公司 2023-11-07 CN claimed
CN-116735774-A Method for detecting content of genotoxic impurities in propionofovir fumarate bulk drug 湖南一格制药有限公司 2023-09-12 CN claimed
CN-116735774-B Method for detecting content of genotoxic impurities in propionofovir fumarate bulk drug 湖南一格制药有限公司 2023-11-07 CN disclosed
CN-116735774-B Method for detecting content of genotoxic impurities in propionofovir fumarate bulk drug 湖南一格制药有限公司 2023-11-07 CN disclosed
CN-116735774-A Method for detecting content of genotoxic impurities in propionofovir fumarate bulk drug 湖南一格制药有限公司 2023-09-12 CN disclosed
CN-116735774-A Method for detecting content of genotoxic impurities in propionofovir fumarate bulk drug 湖南一格制药有限公司 2023-09-12 CN disclosed