SCHEMBL482242

SCHEMBL482242

CN(C)c1nc2cc(-c3cnc4[nH]c(=O)n(CC5CCOCC5)c4n3)ccc2[nH]1.CN(C)c1nc2ccc([Sn](C)(C)C)cc2n1C(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTOR P42345 18/20 0.49
RICTOR Q6R327 1/20 0.48
RPTOR Q8N122 1/20 0.48
MAPKAP1 Q9BPZ7 1/20 0.48
MLST8 Q9BVC4 1/20 0.48
PIK3CA P42336 4/20 0.44
GSK3A P49840 2/20 0.41
MAP3K11 Q16584 2/20 0.41

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
SCHEMBL481364 0.82 MTOR (0.70) MTORRICTORRPTORMAPKAP1MLST8
Hydrochloric Acid SCHEMBL482070 0.78 MTOR (0.59) MTORRICTORRPTORMAPKAP1MLST8
SCHEMBL481655 0.73 MTOR (0.73) MTORRICTORRPTORMAPKAP1MLST8
Hydrochloric Acid SCHEMBL2210213 0.72 MTOR (0.72) MTORRICTORRPTORMAPKAP1MLST8
SCHEMBL481802 0.71 MTOR (0.87) MTORRICTORRPTORMAPKAP1MLST8
Hydrochloric Acid SCHEMBL2208775 0.71 MTOR (0.85) MTORRICTORRPTORMAPKAP1MLST8
SCHEMBL481866 0.70 MTOR (0.86) MTORRICTORRPTORMAPKAP1MLST8
Hydrochloric Acid SCHEMBL481828 0.69 MTOR (0.85) MTORRICTORRPTORMAPKAP1MLST8
SCHEMBL481656 0.67 MTOR (0.82) MTORRICTORRPTORMAPKAP1MLST8
SCHEMBL481759 0.67 MTOR (1.00) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2457913-B1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARM LLC (US) 2017-04-19 EP disclosed
EP-2090577-B1 Heteroaryl compounds, compositions thereof, and their use as protein kinase inhibitors SIGNAL PHARM LLC (US) 2017-04-05 EP disclosed
EP-2457913-A2 Heteroaryl compounds, compositions thereof, and methods of treatment therewith Signal Pharmaceuticals LLC (US) 2012-05-30 EP disclosed
EP-2078016-B1 HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARM LLC (US) 2012-02-01 EP disclosed
EP-2090577-A2 Heteroaryl compounds, compositions thereof, and their use as protein kinase inhibitors Signal Pharmaceuticals LLC (US) 2009-08-19 EP disclosed