SCHEMBL6924744

SCHEMBL6924744

N#Cc1ncc(OCC(N)Cc2c[nH]c3ccccc23)cc1-c1ccc2cnccc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 19/20 1.00
PRKCG P05129 3/20 0.85
CDK1 P06493 3/20 0.85
PRKACA P17612 3/20 0.85
PRKACG P22612 3/20 0.85
PRKACB P22694 3/20 0.85
MAPK1 P28482 3/20 0.85
AKT2 P31751 3/20 0.85
AKT3 Q9Y243 3/20 0.85
PRKCE Q02156 2/20 0.85
SRC P12931 2/20 0.78
CSNK2A2 P19784 2/20 0.78
CSNK2B P67870 2/20 0.78
CSNK2A1 P68400 2/20 0.78
DAPK3 O43293 1/20 0.72
PRKD3 O94806 1/20 0.72
MAP4K4 O95819 1/20 0.72
PIM1 P11309 1/20 0.72
FLT1 P17948 1/20 0.72
GRK5 P34947 1/20 0.72

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
SCHEMBL6853440 1.00 AKT1 (1.00) AKT1PRKCGCDK1PRKACAPRKACG
SCHEMBL6853446 1.00 AKT1 (1.00) AKT1PRKCGCDK1PRKACAPRKACG
SCHEMBL6857580 0.92 AKT1 (1.00) AKT1PRKCGCDK1PRKACAPRKACG
SCHEMBL6833664 0.90 AKT1 (1.00) AKT1PRKCGCDK1PRKACAPRKACG
SCHEMBL6849854 0.87 AKT1 (1.00) AKT1PRKCGCDK1PRKACAPRKACG
SCHEMBL6849637 0.85 AKT1 (1.00) AKT1PRKCGCDK1PRKACAPRKACG
SCHEMBL6849642 0.84 AKT1 (0.75) AKT1PRKCGCDK1PRKACAPRKACG
SCHEMBL6849639 0.84 AKT1 (0.75) AKT1PRKCGCDK1PRKACAPRKACG
SCHEMBL6854467 0.84 AKT1 (1.00) AKT1PRKCGCDK1PRKACAPRKACG
SCHEMBL6855488 0.84 AKT1 (1.00) AKT1PRKCGCDK1PRKACAPRKACG

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 3 patents. 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
EP-1463505-A2 3-(PHENYL-ALKOXY)-5-(PHENYL)-PYRIDINE DERIVATIVES AND RELATED COMPOUNDS AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER Abbott Laboratories (US) 2004-10-06 EP disclosed
WO-2003051366-A2 3-(PHENYL-ALKOXY)-5-(PHENYL)-PYRIDINE DERIVATIVES AND RELATED COMPOUNDS AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER ABBOTT LABORATORIES (US) 2003-06-26 WO disclosed