SCHEMBL20143496

SCHEMBL20143496

C[C@@]1(n2cnc3c(N)ncnc32)OC(CO)C(O)C1O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 3/20 0.55
PI4K2B Q8TCG2 3/20 0.55
PI4K2A Q9BTU6 3/20 0.55
PI4KB Q9UBF8 3/20 0.55
ADORA2A P29274 3/20 0.55
ADORA3 P0DMS8 5/20 0.53
SLC28A1 O00337 2/20 0.53
DPP4 P27487 1/20 0.53
MEN1 O00255 1/20 0.53
MAP3K7 O43318 1/20 0.53
SLC28A2 O43868 1/20 0.53
GAPDH P04406 1/20 0.53
MAPK1 P28482 1/20 0.53
ADORA2B P29275 1/20 0.53
ADORA1 P30542 1/20 0.53
STAT6 P42226 1/20 0.53
KMT2A Q03164 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
DOT1L Q8TEK3 1/20 0.53
SLC29A1 Q99808 1/20 0.53

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
SCHEMBL13010067 1.00 PI4KA (0.55) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL18680910 1.00 PI4KA (0.55) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL41360 1.00 PI4KA (0.55) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL13559221 1.00 PI4KA (0.55) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL16258664 1.00 PI4KA (0.55) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL18537398 1.00 PI4KA (0.55) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL3794703 1.00 PI4KA (0.55) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL13061814 1.00 PI4KA (0.55) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL31662742 0.99 PI4KA (0.54) PI4KAPI4K2BPI4K2API4KBADORA2A
Hydrogen Sulfide SCHEMBL28283740 0.99 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9968628-B2 Methods and compositions for treating flaviviruses and pestiviruses IDENIX PHARMACEUTICALS LLC (US) 2018-05-15 US disclosed