SCHEMBL530610

SCHEMBL530610

COCCCN1CC(O)=Nc2ncc(-c3ccc(C(C)(C)O)nc3)nc21

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTOR P42345 15/20 0.61
PIK3CA P42336 11/20 0.61
RPTOR Q8N122 8/20 0.54
MLST8 Q9BVC4 8/20 0.54
CSF1R P07333 2/20 0.44
RICTOR Q6R327 1/20 0.44
MAPKAP1 Q9BPZ7 1/20 0.44
SYK P43405 5/20 0.43
PIK3CD O00329 1/20 0.41
FLT4 P35916 1/20 0.41
PIK3CB P42338 1/20 0.41
PIK3CG P48736 1/20 0.41
KCNH2 Q12809 1/20 0.41
PIK3C3 Q8NEB9 1/20 0.41
PI4KB Q9UBF8 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
SCHEMBL138721 0.82 MTOR (0.89) MTORPIK3CARPTORMLST8CSF1R
SCHEMBL29522070 0.82 MTOR (0.89) MTORPIK3CARPTORMLST8CSF1R
SCHEMBL530735 0.81 MTOR (0.68) MTORPIK3CARPTORMLST8CSF1R
SCHEMBL530988 0.79 MTOR (0.71) MTORPIK3CARPTORMLST8CSF1R
SCHEMBL531946 0.77 MTOR (0.46) MTORPIK3CARPTORMLST8CSF1R
SCHEMBL29522343 0.76 MTOR (1.00) MTORPIK3CARPTORMLST8CSF1R
SCHEMBL137260 0.76 MTOR (1.00) MTORPIK3CARPTORMLST8CSF1R
SCHEMBL136214 0.74 MTOR (0.91) MTORPIK3CARPTORMLST8CSF1R
SCHEMBL29522552 0.74 MTOR (0.91) MTORPIK3CARPTORMLST8CSF1R
SCHEMBL532015 0.73 MTOR (0.54) MTORPIK3CARPTORMLST8CSF1R

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2598885-A1 BIOMARKER ASSAYS FOR DETECTING OR MEASURING INHIBITION OF TOR KINASE ACTIVITY Signal Pharmaceuticals, LLC (US) 2013-06-05 EP claimed
WO-2012016113-A1 BIOMARKER ASSAYS FOR DETECTING OR MEASURING INHIBITION OF TOR KINASE ACTIVITY SIGNAL PHARMACEUTICALS, LLC (US) 2012-02-02 WO claimed
EP-2598885-A1 BIOMARKER ASSAYS FOR DETECTING OR MEASURING INHIBITION OF TOR KINASE ACTIVITY Signal Pharmaceuticals, LLC (US) 2013-06-05 EP disclosed
WO-2012016113-A1 BIOMARKER ASSAYS FOR DETECTING OR MEASURING INHIBITION OF TOR KINASE ACTIVITY SIGNAL PHARMACEUTICALS, LLC (US) 2012-02-02 WO disclosed