SCHEMBL17554247

SCHEMBL17554247

O=c1[nH]c2ncc(-c3ccc(-c4nc[nH]n4)cc3)nc2n1CCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTOR P42345 18/20 0.57
PIK3CA P42336 2/20 0.46
ADORA3 P0DMS8 1/20 0.44
ADORA2B P29275 1/20 0.44
RICTOR Q6R327 1/20 0.42
RPTOR Q8N122 1/20 0.42
MAPKAP1 Q9BPZ7 1/20 0.42
MLST8 Q9BVC4 1/20 0.42

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
SCHEMBL28068276 0.84 MTOR (0.62) MTORPIK3CAADORA3ADORA2BRICTOR
SCHEMBL481737 0.84 MTOR (0.79) MTORPIK3CA
SCHEMBL481556 0.80 MTOR (0.48) MTORPIK3CARICTORRPTORMAPKAP1
SCHEMBL481727 0.79 MTOR (0.69) MTORPIK3CARICTORRPTORMAPKAP1
SCHEMBL481513 0.78 MTOR (0.75) MTORPIK3CA
SCHEMBL481806 0.77 FYN (0.61) MTORPIK3CA
SCHEMBL481901 0.77 FYN (0.61) MTORPIK3CA
SCHEMBL481805 0.77 FYN (0.61) MTORPIK3CA
SCHEMBL482273 0.76 MTOR (0.44) MTORPIK3CARICTORRPTORMAPKAP1
SCHEMBL28068202 0.75 MTOR (0.51) MTORADORA3ADORA2B

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-2992878-A1 IDENTIFICATION OF LKB1 MUTATION AS A PREDICTIVE BIOMARKER FOR SENSITIVITY TO TOR KINASE INHIBITORS Signal Pharmaceuticals, LLC (US) 2016-03-09 EP disclosed