SCHEMBL1900941

SCHEMBL1900941

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHCY P23526 1/20 0.46
PI4KA P42356 2/20 0.46
PI4K2B Q8TCG2 2/20 0.46
PI4K2A Q9BTU6 2/20 0.46
PI4KB Q9UBF8 2/20 0.46
EHMT1 Q9H9B1 1/20 0.46
ADORA3 P0DMS8 4/20 0.45
ADORA2A P29274 3/20 0.45
SLC28A1 O00337 2/20 0.45
SLC29A1 Q99808 2/20 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
SCHEMBL7610242 0.96 EHMT1 (0.46) PI4KAPI4K2BPI4K2API4KBEHMT1
SCHEMBL8388994 0.89 ADORA3 (0.45) AHCYPI4KAPI4K2BPI4K2API4KB
SCHEMBL10441571 0.88 ADORA3 (0.50) AHCYPI4KAPI4K2BPI4K2API4KB
SCHEMBL6569314 0.85 ADORA3 (0.52) AHCYPI4KAPI4K2BPI4K2API4KB
SCHEMBL939590 0.84 ADORA3 (0.54) AHCYPI4KAPI4K2BPI4K2API4KB
SCHEMBL8388987 0.84 EHMT1 (0.46) AHCYPI4KAPI4K2BPI4K2API4KB
SCHEMBL11516446 0.82 PI4KA (0.47) AHCYPI4KAPI4K2BPI4K2API4KB
SCHEMBL1723481 0.81 ADORA3 (0.47) AHCYPI4KAPI4K2BPI4K2API4KB
SCHEMBL29509039 0.81 ADORA3 (0.50) AHCYPI4KAPI4K2BPI4K2API4KB
SCHEMBL28715703 0.81 ADORA3 (0.50) AHCYPI4KAPI4K2BPI4K2API4KB

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
WO-2011057199-A1 COMPOSITIONS FOR TREATING CNS DISORDERS ADENIOS, INC. (US) 2011-05-12 WO claimed