SCHEMBL530574

SCHEMBL530574

OC1=Nc2ncc(-c3ccc(-c4ncn[nH]4)cc3)nc2N(CCC2CCOCC2)C1

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MTOR P42345 20/20 0.70
PIK3CA P42336 9/20 0.70
RPTOR Q8N122 8/20 0.70
MLST8 Q9BVC4 8/20 0.70
RICTOR Q6R327 3/20 0.70
MAPKAP1 Q9BPZ7 3/20 0.70
CSF1R P07333 1/20 0.40

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
SCHEMBL531241 0.83 MTOR (0.69) MTORPIK3CARPTORMLST8RICTOR
SCHEMBL138388 0.82 MTOR (1.00) MTORPIK3CARPTORMLST8RICTOR
SCHEMBL136223 0.75 MTOR (1.00) MTORPIK3CARPTORMLST8RICTOR
SCHEMBL29522556 0.75 MTOR (1.00) MTORPIK3CARPTORMLST8RICTOR
SCHEMBL137103 0.75 MTOR (0.84) MTORPIK3CARPTORMLST8RICTOR
SCHEMBL29522077 0.75 MTOR (0.84) MTORPIK3CARPTORMLST8RICTOR
SCHEMBL530692 0.75 MTOR (0.58) MTORPIK3CARPTORMLST8RICTOR
SCHEMBL530988 0.71 MTOR (0.71) MTORPIK3CARPTORMLST8RICTOR
SCHEMBL22396620 0.71 MTOR (1.00) MTORPIK3CARPTORMLST8RICTOR
SCHEMBL15644344 0.67 MTOR (0.47) MTORPIK3CARPTORMLST8RICTOR

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