SCHEMBL6854564

SCHEMBL6854564

N[C@H](COc1cnc(-c2ccccn2)c(-c2cc3ccccc3s2)c1)Cc1c[nH]c2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 19/20 0.60
PRKCG P05129 5/20 0.60
CDK1 P06493 5/20 0.60
PRKACA P17612 5/20 0.60
MAPK1 P28482 5/20 0.60
AKT2 P31751 5/20 0.60
AKT3 Q9Y243 5/20 0.60
DAPK3 O43293 3/20 0.60
PIM1 P11309 3/20 0.60
KDR P35968 3/20 0.60
GSK3A P49840 3/20 0.60
GSK3B P49841 3/20 0.60
RPS6KA3 P51812 3/20 0.60
CDK5 Q00535 3/20 0.60
PRKCD Q05655 3/20 0.60
PRKAA1 Q13131 3/20 0.60
DYRK1A Q13627 3/20 0.60
CSNK2A1 P68400 3/20 0.60
PLK4 O00444 2/20 0.60
MAPK13 O15264 2/20 0.60

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
SCHEMBL6855369 0.92 AKT1 (0.63) AKT1PRKCGCDK1PRKACAMAPK1
SCHEMBL6853159 0.89 AKT1 (0.60) AKT1PRKCGCDK1PRKACAMAPK1
SCHEMBL6855283 0.87 AKT1 (0.58) AKT1PRKCGCDK1PRKACAMAPK1
SCHEMBL6853466 0.86 AKT1 (0.68) AKT1PRKCGCDK1PRKACAMAPK1
SCHEMBL6855300 0.84 AKT1 (0.58) AKT1PRKCGCDK1PRKACAMAPK1
SCHEMBL6855296 0.84 AKT1 (0.58) AKT1PRKCGCDK1PRKACAMAPK1
SCHEMBL6854922 0.84 AKT1 (0.66) AKT1PRKCGCDK1PRKACAMAPK1
SCHEMBL6855642 0.82 AKT1 (0.65) AKT1PRKCGCDK1PRKACAMAPK1
SCHEMBL6855648 0.82 AKT1 (0.65) AKT1PRKCGCDK1PRKACAMAPK1
SCHEMBL6857705 0.80 AKT1 (0.75) AKT1PRKCGCDK1PRKACAMAPK1

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
US-6831175-B2 Such as N,N-dimethyl-N-(2-((5-((E)-2-pyridin-4-ylvinyl) pyridin-3-yl)oxy)ethyl)amine ABBOTT LABORATORIES 2004-12-14 US claimed