SCHEMBL6849889

SCHEMBL6849889

Nc1nc(Nc2cccc(-c3cncc(OCC(N)Cc4c[nH]c5ccccc45)c3)c2)c2nc[nH]c2n1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 19/20 0.70
PRKACA P17612 3/20 0.59
PRKACG P22612 3/20 0.59
PRKACB P22694 3/20 0.59
AKT2 P31751 3/20 0.59
AKT3 Q9Y243 3/20 0.59
PRKCG P05129 2/20 0.59
CDK1 P06493 2/20 0.59
SRC P12931 2/20 0.59
CSNK2A2 P19784 2/20 0.59
MAPK1 P28482 2/20 0.59
CSNK2B P67870 2/20 0.59
CSNK2A1 P68400 2/20 0.59
PRKCE Q02156 2/20 0.59
PIM1 P11309 2/20 0.58
GSK3A P49840 2/20 0.58
GSK3B P49841 2/20 0.58
RPS6KA3 P51812 2/20 0.58
DYRK1A Q13627 2/20 0.58
PRKCD Q05655 2/20 0.58

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
SCHEMBL6857736 0.93 AKT1 (0.71) AKT1PRKACAPRKACGPRKACBAKT2
Ammonia Solution, Strong SCHEMBL6853385 0.89 AKT1 (0.64) AKT1PRKACAPRKACGPRKACBAKT2
SCHEMBL6849795 0.83 AKT1 (0.85) AKT1PRKACAPRKACGPRKACBAKT2
SCHEMBL6849748 0.83 AKT1 (1.00) AKT1PRKACAPRKACGPRKACBAKT2
SCHEMBL6855167 0.79 AKT1 (1.00) AKT1PRKACAPRKACGPRKACBAKT2
SCHEMBL6857809 0.78 AKT1 (1.00) AKT1AKT2AKT3PIM1GSK3A
SCHEMBL6857813 0.78 AKT1 (1.00) AKT1AKT2AKT3PIM1GSK3A
SCHEMBL7128961 0.78 AKT1 (1.00) AKT1AKT2AKT3PIM1GSK3A
SCHEMBL6855409 0.78 AKT1 (1.00) AKT1PRKACAPRKACGPRKACBAKT2
SCHEMBL6855412 0.78 AKT1 (1.00) AKT1PRKACAPRKACGPRKACBAKT2

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