SCHEMBL28037447

SCHEMBL28037447

C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@@]1(Cl)n1cnc2c(N)ncnc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.54
PI4KA P42356 3/20 0.50
PI4K2B Q8TCG2 3/20 0.50
PI4K2A Q9BTU6 3/20 0.50
PI4KB Q9UBF8 3/20 0.50
ADORA3 P0DMS8 5/20 0.47
SLC28A1 O00337 2/20 0.47
GMPS P49915 1/20 0.47
DPP4 P27487 1/20 0.47
MEN1 O00255 1/20 0.47
MAP3K7 O43318 1/20 0.47
SLC28A2 O43868 1/20 0.47
GAPDH P04406 1/20 0.47
MAPK1 P28482 1/20 0.47
ADORA2B P29275 1/20 0.47
ADORA1 P30542 1/20 0.47
STAT6 P42226 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
DOT1L Q8TEK3 1/20 0.47

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
SCHEMBL30716566 0.90 ADORA2A (0.53) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL30704993 0.87 ADORA2A (0.49) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL226040 0.86 ADORA2A (0.56) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL28867974 0.85 ADORA2A (0.55) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL29081873 0.84 ADORA2A (0.54) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL7793912 0.83 ADORA2A (0.47) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL27476771 0.81 ADORA2A (0.51) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL16554916 0.80 ADORA2A (0.54) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL10605544 0.79 ADORA2A (0.47) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL29696457 0.79 ADORA2A (0.56) 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-104936970-A 2' -chloronucleoside analogs for HCV infection IDENIX PHARMACEUTICALS INC 2015-09-23 CN disclosed