SCHEMBL28607692

SCHEMBL28607692

CC[C@@H](OCP(=O)(Cl)Oc1ccccc1)n1cnc2c(N)ncnc21

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.46
ADORA2B P29275 2/20 0.46
ADORA1 P30542 2/20 0.46
PI4KA P42356 2/20 0.42
PI4K2B Q8TCG2 2/20 0.42
PI4K2A Q9BTU6 2/20 0.42
PI4KB Q9UBF8 2/20 0.42
AHCY P23526 1/20 0.41
CYP3A4 P08684 1/20 0.41
PIK3CD O00329 2/20 0.41
PIK3R1 P27986 1/20 0.40

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
SCHEMBL28607691 0.84 ADORA2A (0.51) ADORA2AADORA2BADORA1PI4KAPI4K2B
SCHEMBL28045212 0.80 CYP3A4 (0.66) CYP3A4
SCHEMBL19370540 0.80 CYP3A4 (0.66) CYP3A4
SCHEMBL14849943 0.80 CYP3A4 (0.66) CYP3A4
SCHEMBL6402722 0.80 CYP3A4 (0.61) ADORA2AADORA2BADORA1PI4KAPI4K2B
SCHEMBL28462922 0.78 ADORA2A (0.48) ADORA2AADORA2BADORA1PI4KAPI4K2B
SCHEMBL20324318 0.77 CYP3A4 (0.48) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL29641197 0.76 PI4KA (0.46) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL21518150 0.76 PI4KA (0.46) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL21518153 0.76 PI4KA (0.46) ADORA2AADORA1PI4KAPI4K2BPI4K2A

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
CN-109265480-B Preparation method of high-purity tenofovir alafenamide impurity TAF-Y 扬子江药业集团有限公司 2021-08-13 CN claimed
CN-109265480-B Preparation method of high-purity tenofovir alafenamide impurity TAF-Y 扬子江药业集团有限公司 2021-08-13 CN disclosed