SCHEMBL6854313

SCHEMBL6854313

Cc1n[nH]c2ccc(-c3cccc(OC[C@@H](N)Cc4c[nH]c5ccccc45)n3)cc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 19/20 0.59
PRKACA P17612 4/20 0.55
AKT3 Q9Y243 2/20 0.55
AKT2 P31751 1/20 0.55
CDC7 O00311 1/20 0.55
DCLK1 O15075 1/20 0.55
CHUK O15111 1/20 0.55
MAPK13 O15264 1/20 0.55
PDPK1 O15530 1/20 0.55
DAPK3 O43293 1/20 0.55
DYRK3 O43781 1/20 0.55
ROCK2 O75116 1/20 0.55
RPS6KA5 O75582 1/20 0.55
PRKD3 O94806 1/20 0.55
MAP4K4 O95819 1/20 0.55
PAK4 O96013 1/20 0.55
CHEK2 O96017 1/20 0.55
PRKCG P05129 1/20 0.55
INSR P06213 1/20 0.55
CDK1 P06493 1/20 0.55

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
SCHEMBL6857762 0.90 AKT1 (0.62) AKT1PRKACAAKT3AKT2CDC7
SCHEMBL6926793 0.90 AKT1 (0.62) AKT1PRKACAAKT3AKT2CDC7
SCHEMBL6855147 0.86 CLK2 (0.61) AKT1PRKACAAKT3AKT2CDC7
SCHEMBL6854512 0.85 AKT1 (0.73) AKT1PRKACAAKT3AKT2CDC7
A-443654 SCHEMBL29374078 0.82 AKT1 (0.85) AKT1PRKACAAKT3AKT2CDC7
A-443654 SCHEMBL2738467 0.82 AKT1 (0.85) AKT1PRKACAAKT3AKT2CDC7
A-443654 SCHEMBL6855479 0.82 AKT1 (0.85) AKT1PRKACAAKT3AKT2CDC7
A-443654 SCHEMBL29644958 0.82 AKT1 (0.85) AKT1PRKACAAKT3AKT2CDC7
A-443654 SCHEMBL19859268 0.82 AKT1 (0.85) AKT1PRKACAAKT3AKT2CDC7
SCHEMBL6857949 0.81 AKT1 (0.73) AKT1PRKACAAKT3AKT2DAPK3

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