SCHEMBL481732

SCHEMBL481732

Cc1cccc(-c2cnc3[nH]c(=O)n(CC4CCOCC4)c3n2)c1-c1nc[nH]n1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MTOR P42345 17/20 0.56
RICTOR Q6R327 1/20 0.53
RPTOR Q8N122 1/20 0.53
MAPKAP1 Q9BPZ7 1/20 0.53
MLST8 Q9BVC4 1/20 0.53
PIK3CA P42336 1/20 0.52
MAP3K11 Q16584 3/20 0.47

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
SCHEMBL481610 0.84 MTOR (0.65) MTORRICTORRPTORMAPKAP1MLST8
SCHEMBL481387 0.81 MTOR (0.69) MTORRICTORRPTORMAPKAP1MLST8
SCHEMBL18726157 0.80 MTOR (0.64) MTORRICTORRPTORMAPKAP1MLST8
SCHEMBL481342 0.79 MTOR (0.62) MTORRICTORRPTORMAPKAP1MLST8
SCHEMBL481708 0.77 MTOR (0.59) MTORRICTORRPTORMAPKAP1MLST8
SCHEMBL481601 0.74 MTOR (0.65) MTORPIK3CAMAP3K11
SCHEMBL481727 0.74 MTOR (0.69) MTORRICTORRPTORMAPKAP1MLST8
SCHEMBL481513 0.73 MTOR (0.75) MTORPIK3CA
SCHEMBL482031 0.73 MTOR (0.76) MTORRICTORRPTORMAPKAP1MLST8
SCHEMBL481910 0.73 MTOR (0.76) MTORRICTORRPTORMAPKAP1MLST8

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