SCHEMBL529879

SCHEMBL529879

O=C1CN(CCC2CCOCC2)c2nc(-c3ccc(CCO)nc3)cnc2N1

nearest known ligand 0.73

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MTOR P42345 20/20 0.73
RPTOR Q8N122 7/20 0.73
MLST8 Q9BVC4 7/20 0.73
PIK3CA P42336 12/20 0.68
RICTOR Q6R327 2/20 0.68
MAPKAP1 Q9BPZ7 2/20 0.68
CSF1R P07333 1/20 0.61

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
SCHEMBL137142 0.93 MTOR (0.75) MTORRPTORMLST8PIK3CARICTOR
SCHEMBL138867 0.84 MTOR (1.00) MTORRPTORMLST8PIK3CARICTOR
SCHEMBL29522951 0.84 MTOR (1.00) MTORRPTORMLST8PIK3CARICTOR
SCHEMBL29521822 0.83 MTOR (0.74) MTORRPTORMLST8PIK3CARICTOR
SCHEMBL29522038 0.83 MTOR (0.74) MTORRPTORMLST8PIK3CARICTOR
SCHEMBL137135 0.83 MTOR (0.74) MTORRPTORMLST8PIK3CARICTOR
SCHEMBL154578 0.83 MTOR (0.74) MTORRPTORMLST8PIK3CARICTOR
SCHEMBL154026 0.83 MTOR (0.74) MTORRPTORMLST8PIK3CARICTOR
SCHEMBL138642 0.83 MTOR (0.75) MTORRPTORMLST8PIK3CARICTOR
SCHEMBL29521551 0.83 MTOR (1.00) MTORRPTORMLST8PIK3CARICTOR

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 2 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 disclosed
WO-2012016113-A1 BIOMARKER ASSAYS FOR DETECTING OR MEASURING INHIBITION OF TOR KINASE ACTIVITY SIGNAL PHARMACEUTICALS, LLC (US) 2012-02-02 WO disclosed