SCHEMBL482148

SCHEMBL482148

CCC(O)c1ccc(-c2cnc3[nH]c(=O)n(CCC4CCOCC4)c3n2)cn1

nearest known ligand 0.72

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTOR P42345 19/20 0.72
PIK3CA P42336 3/20 0.65
RICTOR Q6R327 2/20 0.65
RPTOR Q8N122 2/20 0.65
MAPKAP1 Q9BPZ7 2/20 0.65
MLST8 Q9BVC4 2/20 0.65
GSK3A P49840 1/20 0.48
MAP3K11 Q16584 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
SCHEMBL481891 0.84 MTOR (0.81) MTORPIK3CARICTORRPTORMAPKAP1
SCHEMBL481136 0.84 MTOR (1.00) MTORPIK3CARICTORRPTORMAPKAP1
SCHEMBL481383 0.83 MTOR (0.82) MTORPIK3CARICTORRPTORMAPKAP1
SCHEMBL481956 0.81 MTOR (0.71) MTORPIK3CARICTORRPTORMAPKAP1
SCHEMBL481492 0.81 MTOR (0.70) MTORPIK3CARICTORRPTORMAPKAP1
SCHEMBL482112 0.81 MTOR (0.68) MTORPIK3CARICTORRPTORMAPKAP1
SCHEMBL482130 0.80 MTOR (0.71) MTORPIK3CARICTORRPTORMAPKAP1
SCHEMBL481465 0.79 MTOR (0.70) MTORPIK3CARICTORRPTORMAPKAP1
SCHEMBL481727 0.79 MTOR (0.69) MTORPIK3CARICTORRPTORMAPKAP1
SCHEMBL481452 0.79 MTOR (0.83) MTORPIK3CARICTORRPTORMAPKAP1

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
EP-2078016-B1 HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARM LLC (US) 2012-02-01 EP disclosed