SCHEMBL29375670

SCHEMBL29375670

C[C@@]1(n2cnc3c(N)ncnc32)O[C@H](CS)[C@@H](O)[C@H]1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 4/20 0.47
PI4K2B Q8TCG2 4/20 0.47
PI4K2A Q9BTU6 4/20 0.47
PI4KB Q9UBF8 4/20 0.47
ADORA2A P29274 3/20 0.47
ADORA3 P0DMS8 2/20 0.47
GMPS P49915 1/20 0.47
SLC28A1 O00337 2/20 0.45
EGFR P00533 1/20 0.45
ERBB2 P04626 1/20 0.45
DPP4 P27487 1/20 0.45
MEN1 O00255 1/20 0.45
MAP3K7 O43318 1/20 0.45
SLC28A2 O43868 1/20 0.45
GAPDH P04406 1/20 0.45
MAPK1 P28482 1/20 0.45
ADORA2B P29275 1/20 0.45
ADORA1 P30542 1/20 0.45
STAT6 P42226 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL20143496 0.91 PI4KA (0.55) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL13061814 0.91 PI4KA (0.55) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL13559221 0.91 PI4KA (0.55) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL18680910 0.91 PI4KA (0.55) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL3794703 0.91 PI4KA (0.55) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL18537398 0.91 PI4KA (0.55) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL16258664 0.91 PI4KA (0.55) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL41360 0.91 PI4KA (0.55) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL13010067 0.91 PI4KA (0.55) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL31662742 0.89 PI4KA (0.54) PI4KAPI4K2BPI4K2API4KBADORA2A

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-117740961-A Compound analysis method of liquorice and liquorice probiotics fermentation preparation 北京中医药大学 2024-03-22 CN disclosed
CN-114025792-A Vaccine against pathogenic immune-activated cells during infection 21C生物公司 2022-02-08 CN disclosed