SCHEMBL481920

SCHEMBL481920

CC(C1CCOCC1)n1c(=O)[nH]c2ncc(-c3ccc(C4CCNC4)cc3)nc21

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MTOR P42345 16/20 0.48
PIK3CA P42336 2/20 0.43
MAP3K11 Q16584 4/20 0.43
RICTOR Q6R327 2/20 0.43
RPTOR Q8N122 2/20 0.43
MAPKAP1 Q9BPZ7 2/20 0.43
MLST8 Q9BVC4 2/20 0.43

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
SCHEMBL2507834 0.79 MTOR (0.68) MTORPIK3CAMAP3K11RICTORRPTOR
SCHEMBL481738 0.79 MTOR (0.68) MTORPIK3CARICTORRPTORMAPKAP1
SCHEMBL481852 0.71 MTOR (0.39) MTORPIK3CAMAP3K11RICTORRPTOR
Hydrochloric Acid SCHEMBL2508357 0.68 MTOR (0.68) MTORMAP3K11
SCHEMBL15644296 0.67 MTOR (0.43) MTORPIK3CARICTORRPTORMAPKAP1
SCHEMBL481444 0.67 MTOR (0.66) MTORPIK3CARICTORRPTORMAPKAP1
SCHEMBL481516 0.66 MTOR (1.00) MTORMAP3K11
SCHEMBL481797 0.66 MTOR (1.00) MTORPIK3CAMAP3K11RICTORRPTOR
SCHEMBL975509 0.66 FYN (0.72) MTORMAP3K11
SCHEMBL1565352 0.66 PIK3CG (0.49) MTORPIK3CAMAP3K11RICTORMAPKAP1

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