SCHEMBL530988

SCHEMBL530988

CC(C)(O)c1ccc(-c2cnc3c(n2)N(CC2CCOCC2)CC(O)=N3)cn1

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTOR P42345 18/20 0.71
RPTOR Q8N122 8/20 0.71
MLST8 Q9BVC4 8/20 0.71
RICTOR Q6R327 2/20 0.71
MAPKAP1 Q9BPZ7 2/20 0.71
CSF1R P07333 1/20 0.71
PIK3CA P42336 11/20 0.59
SYK P43405 2/20 0.44

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
SCHEMBL530735 0.92 MTOR (0.68) MTORRPTORMLST8RICTORMAPKAP1
SCHEMBL530692 0.89 MTOR (0.58) MTORRPTORMLST8RICTORMAPKAP1
SCHEMBL135776 0.83 MTOR (1.00) MTORRPTORMLST8RICTORMAPKAP1
SCHEMBL29521841 0.83 MTOR (1.00) MTORRPTORMLST8RICTORMAPKAP1
SCHEMBL31691509 0.83 MTOR (1.00) MTORRPTORMLST8RICTORMAPKAP1
SCHEMBL531241 0.81 MTOR (0.69) MTORRPTORMLST8RICTORMAPKAP1
SCHEMBL531037 0.81 MTOR (0.60) MTORRPTORMLST8RICTORMAPKAP1
SCHEMBL531036 0.81 MTOR (0.60) MTORRPTORMLST8RICTORMAPKAP1
SCHEMBL530717 0.79 MTOR (0.58) MTORRPTORMLST8RICTORMAPKAP1
SCHEMBL530718 0.79 MTOR (0.58) MTORRPTORMLST8RICTORMAPKAP1

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