SCHEMBL28294010

SCHEMBL28294010

C[C@@]1(n2cnc3c(N)ncnc32)O[C@H](CO)[C@@H](O)[C@]1(O)C1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.49
PI4KA P42356 5/20 0.47
PI4K2B Q8TCG2 5/20 0.47
PI4K2A Q9BTU6 5/20 0.47
PI4KB Q9UBF8 5/20 0.47
ADORA3 P0DMS8 5/20 0.45
SLC28A1 O00337 2/20 0.45
TAS1R3 Q7RTX0 2/20 0.43
TAS1R1 Q7RTX1 2/20 0.43
GMPS P49915 1/20 0.43
DPP4 P27487 1/20 0.43
MEN1 O00255 1/20 0.43
MAP3K7 O43318 1/20 0.43
SLC28A2 O43868 1/20 0.43
GAPDH P04406 1/20 0.43
MAPK1 P28482 1/20 0.43
ADORA2B P29275 1/20 0.43
ADORA1 P30542 1/20 0.43
STAT6 P42226 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL226040 0.83 ADORA2A (0.56) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL1553826 0.79 ADORA2A (0.46) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL120561 0.79 ADORA3 (0.50) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL12987542 0.79 ADORA2A (0.51) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL120550 0.78 ADORA3 (0.51) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL28037447 0.77 ADORA2A (0.54) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL30716566 0.76 ADORA2A (0.53) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL28867974 0.76 ADORA2A (0.55) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL29081873 0.75 ADORA2A (0.54) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL29815498 0.75 ADORA2A (0.52) ADORA2API4KAPI4K2BPI4K2API4KB

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-109715637-A Glucokinase activators and its application method 百时美施贵宝公司 2019-05-03 CN disclosed