SCHEMBL21186161

SCHEMBL21186161

COc1ccnc(CNc2nc3ccc(Cc4ccccc4)cc3s2)c1OC(C)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.46
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
PIK3CA P42336 4/20 0.45
CSNK1D P48730 7/20 0.43
CD274 Q9NZQ7 1/20 0.43
HDAC1 Q13547 1/20 0.42
SCD O00767 2/20 0.41
ROCK2 O75116 1/20 0.41
MAP4K4 O95819 1/20 0.41
PRKCG P05129 1/20 0.41
LYN P07948 1/20 0.41
PRKACA P17612 1/20 0.41
RPS6KB1 P23443 1/20 0.41
AKT1 P31749 1/20 0.41
FLT3 P36888 1/20 0.41
CLK2 P49760 1/20 0.41
IRAK1 P51617 1/20 0.41
PRKX P51817 1/20 0.41
NEK4 P51957 1/20 0.41

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
SCHEMBL21186409 0.86 MET (0.49) METRAB9ANPC1PIK3CACSNK1D
SCHEMBL21186152 0.76 SCD (0.52) METRAB9ANPC1PIK3CACSNK1D
SCHEMBL21186174 0.71 SCD (0.61) RAB9ANPC1PIK3CASCD
SCHEMBL21186159 0.71 PIK3CA (0.49) METRAB9ANPC1PIK3CASCD
SCHEMBL21186049 0.71 POLB (0.56) METRAB9ANPC1PIK3CASCD
SCHEMBL21186160 0.68 GHSR (0.49) RAB9ANPC1PIK3CASCDIRAK1
SCHEMBL21186041 0.68 MET (0.49) METRAB9ANPC1CSNK1DSCD
SCHEMBL4381327 0.67 MET (0.73) METRAB9ANPC1CD274
SCHEMBL31167727 0.67 POLQ (0.60) RAB9ANPC1CSNK1DSCD
SCHEMBL21186173 0.67 MET (0.51) METRAB9ANPC1CSNK1DSCD

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-2019141980-A1 AGRICULTURAL CHEMICALS GLOBACHEM NV (BE) 2019-07-25 WO disclosed