SCHEMBL28215296

SCHEMBL28215296

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 5/20 0.49
ADORA2A P29274 3/20 0.49
PI4KA P42356 2/20 0.49
PI4K2B Q8TCG2 2/20 0.49
PI4K2A Q9BTU6 2/20 0.49
PI4KB Q9UBF8 2/20 0.49
GMPS P49915 1/20 0.49
SLC28A1 O00337 2/20 0.49
DPP4 P27487 1/20 0.49
MEN1 O00255 1/20 0.49
MAP3K7 O43318 1/20 0.49
SLC28A2 O43868 1/20 0.49
GAPDH P04406 1/20 0.49
MAPK1 P28482 1/20 0.49
ADORA2B P29275 1/20 0.49
ADORA1 P30542 1/20 0.49
STAT6 P42226 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
DOT1L Q8TEK3 1/20 0.49

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
SCHEMBL219553 0.89 ADORA3 (0.49) ADORA3ADORA2API4KAPI4K2BPI4K2A
SCHEMBL2463541 0.86 ADORA3 (0.50) ADORA3ADORA2API4KAPI4K2BPI4K2A
SCHEMBL29655156 0.86 ADORA3 (0.50) ADORA3ADORA2API4KAPI4K2BPI4K2A
Acetaldehyde SCHEMBL27678170 0.85 ADORA3 (0.48) ADORA3ADORA2API4KAPI4K2BPI4K2A
Phosphoric Acid SCHEMBL474409 0.85 ADORA1 (0.48) ADORA3ADORA2API4KAPI4K2BPI4K2A
SCHEMBL1066702 0.85 PI4KA (0.46) ADORA3ADORA2API4KAPI4K2BPI4K2A
SCHEMBL2761283 0.84 PI4KA (0.47) ADORA3ADORA2API4KAPI4K2BPI4K2A
SCHEMBL27653575 0.84 ADORA3 (0.48) ADORA3ADORA2API4KAPI4K2BPI4K2A
SCHEMBL2480939 0.83 PI4KA (0.46) ADORA3ADORA2API4KAPI4K2BPI4K2A
SCHEMBL2480947 0.83 PI4KA (0.46) ADORA3ADORA2API4KAPI4K2BPI4K2A

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-108026537-A Artificial nucleic acid molecules 库瑞瓦格股份公司 2018-05-11 CN disclosed