SCHEMBL6876250

SCHEMBL6876250

COc1ccc(-c2ccc3ncc4ccc(=O)n(-c5ccc(N6CCNCC6)c(C)c5)c4c3c2)c(OC)n1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTOR P42345 14/20 0.66
PIK3CA P42336 4/20 0.56
PIK3CD O00329 1/20 0.50
CSNK2A2 P19784 1/20 0.50
FECH P22830 1/20 0.50
PIK3CB P42338 1/20 0.50
PIK3CG P48736 1/20 0.50
CLK1 P49759 1/20 0.50
GSK3A P49840 1/20 0.50
DYRK1A Q13627 1/20 0.50
MELK Q14680 1/20 0.50
MYLK3 Q32MK0 1/20 0.50
PIK3C3 Q8NEB9 1/20 0.50
PIP4K2C Q8TBX8 1/20 0.50
TP53RK Q96S44 1/20 0.50
RPTOR Q8N122 1/20 0.48
MLST8 Q9BVC4 1/20 0.48
RIOK2 Q9BVS4 1/20 0.46

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
SCHEMBL7918801 0.90 MTOR (0.82) MTORPIK3CAPIK3CDCSNK2A2FECH
SCHEMBL6874850 0.89 MTOR (0.81) MTORPIK3CAPIK3CDCSNK2A2FECH
SCHEMBL11885725 0.84 MTOR (0.82) MTORPIK3CAPIK3CDCSNK2A2FECH
SCHEMBL11887277 0.82 MTOR (0.62) MTORPIK3CA
SCHEMBL11885735 0.81 MTOR (0.87) MTORPIK3CAPIK3CDCSNK2A2FECH
SCHEMBL7918798 0.79 MTOR (1.00) MTORPIK3CAPIK3CDCSNK2A2FECH
SCHEMBL6874822 0.79 MTOR (0.83) MTORPIK3CAPIK3CDCSNK2A2FECH
SCHEMBL6874961 0.78 MTOR (0.78) MTORPIK3CAPIK3CDCSNK2A2FECH
SCHEMBL6875573 0.75 MTOR (1.00) MTORPIK3CAPIK3CDCSNK2A2FECH
SCHEMBL6874948 0.75 MTOR (0.90) MTORPIK3CAPIK3CDCSNK2A2FECH

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-2011011716-A1 INHIBITORS OF MTOR KINASE AS ANTI-VIRAL AGENTS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2011-01-27 WO disclosed