SCHEMBL1068569

SCHEMBL1068569

COc1ccc(C(c2ccccc2)(c2ccccc2)[C@@]2(n3cnc4c(N)ncnc43)O[C@H](CO)[C@@H](O)[C@H]2O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 3/20 0.44
SLC28A2 O43868 2/20 0.42
PI4KA P42356 3/20 0.41
PI4K2B Q8TCG2 3/20 0.41
PI4K2A Q9BTU6 3/20 0.41
PI4KB Q9UBF8 3/20 0.41
NSD3 Q9BZ95 1/20 0.41
ADORA2A P29274 4/20 0.40
ADORA3 P0DMS8 2/20 0.40
ADORA2B P29275 2/20 0.40
DPP4 P27487 1/20 0.40
MEN1 O00255 1/20 0.40
SLC28A1 O00337 1/20 0.40
MAP3K7 O43318 1/20 0.40
GAPDH P04406 1/20 0.40
MAPK1 P28482 1/20 0.40
STAT6 P42226 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
DOT1L Q8TEK3 1/20 0.40

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
SCHEMBL5859569 0.93 PI4KA (0.43) ADORA1SLC28A2PI4KAPI4K2BPI4K2A
SCHEMBL9705275 0.92 ADORA3 (0.46) ADORA1SLC28A2PI4KAPI4K2BPI4K2A
SCHEMBL10381790 0.89 ADORA1 (0.43) ADORA1SLC28A2PI4KAPI4K2BPI4K2A
SCHEMBL1068353 0.87 ADORA2A (0.41) ADORA1ADORA2AADORA3ADORA2B
SCHEMBL6852710 0.85 ADORA1 (0.48) ADORA1SLC28A2PI4KAPI4K2BPI4K2A
SCHEMBL674400 0.85 ADORA1 (0.48) ADORA1SLC28A2PI4KAPI4K2BPI4K2A
SCHEMBL7061902 0.83 ADORA2A (0.43) ADORA1SLC28A2PI4KAPI4K2BPI4K2A
SCHEMBL6420726 0.83 HPGD (0.49) ADORA2AADORA3ADORA2BMEN1KMT2A
SCHEMBL31645122 0.83 ADORA1 (0.45) ADORA1ADORA2AADORA3SMN1; SMN2
SCHEMBL8970900 0.80 SLC29A1 (0.37) ADORA1ADORA2AADORA3ADORA2BSLC29A1

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
WO-2011005595-A2 2-5A ANALOGS AND THEIR METHODS OF USE ALIOS BIOPHARMA, INC. (US) 2011-01-13 WO disclosed
EP-0389521-A1 2',5'-PHOSPHOROTHIOATE OLIGOADENYLATES AND ANTIVIRAL USES THEREOF Temple University of the Commonwealth System of Higher Education (US) 1990-10-03 EP disclosed