SCHEMBL481612

SCHEMBL481612

CCOC(=N)c1ccc(-c2cnc3[nH]c(=O)n(CN4CCNCC4)c3n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTOR P42345 19/20 0.48
PIK3CA P42336 2/20 0.46
GSK3A P49840 1/20 0.43
MAP3K11 Q16584 1/20 0.42
RICTOR Q6R327 1/20 0.41
RPTOR Q8N122 1/20 0.41
MAPKAP1 Q9BPZ7 1/20 0.41
MLST8 Q9BVC4 1/20 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
Hydrochloric Acid SCHEMBL482102 0.83 MTOR (0.51) MTORPIK3CAGSK3AMAP3K11
Hydrochloric Acid SCHEMBL481472 0.80 MTOR (0.73) MTORPIK3CAGSK3A
SCHEMBL481880 0.80 MTOR (0.72) MTORPIK3CAGSK3ARICTORRPTOR
SCHEMBL482112 0.78 MTOR (0.68) MTORPIK3CAGSK3ARICTORRPTOR
Hydrochloric Acid SCHEMBL27790997 0.73 MTOR (0.70) MTORPIK3CAGSK3A
SCHEMBL27790998 0.67 MTOR (0.83) MTORPIK3CAGSK3AMAP3K11
SCHEMBL481629 0.67 MTOR (0.84) MTORPIK3CAGSK3AMAP3K11
SCHEMBL481548 0.66 MTOR (0.63) MTORPIK3CAMAP3K11RICTORRPTOR
SCHEMBL481800 0.65 MTOR (0.80) MTORPIK3CAGSK3AMAP3K11
SCHEMBL2206999 0.65 MTOR (1.00) MTORPIK3CAGSK3A

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