SCHEMBL530717

SCHEMBL530717

C[C@H]1C(O)=Nc2ncc(-c3ccc(C(C)(C)O)nc3)nc2N1CCC1CCOCC1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTOR P42345 17/20 0.58
RPTOR Q8N122 7/20 0.58
MLST8 Q9BVC4 7/20 0.58
PIK3CA P42336 10/20 0.53
RICTOR Q6R327 2/20 0.53
MAPKAP1 Q9BPZ7 2/20 0.53
CSF1R P07333 1/20 0.53
SYK P43405 3/20 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
SCHEMBL530718 1.00 MTOR (0.58) MTORRPTORMLST8PIK3CARICTOR
SCHEMBL15357444 0.82 MTOR (0.72) MTORRPTORMLST8PIK3CARICTOR
SCHEMBL29522088 0.82 MTOR (0.72) MTORRPTORMLST8PIK3CARICTOR
SCHEMBL156336 0.82 MTOR (0.72) MTORRPTORMLST8PIK3CARICTOR
SCHEMBL138741 0.82 MTOR (0.72) MTORRPTORMLST8PIK3CARICTOR
SCHEMBL530988 0.79 MTOR (0.71) MTORRPTORMLST8PIK3CARICTOR
SCHEMBL139005 0.75 MTOR (0.74) MTORRPTORMLST8PIK3CARICTOR
SCHEMBL154293 0.75 MTOR (0.74) MTORRPTORMLST8PIK3CARICTOR
SCHEMBL156507 0.75 MTOR (0.74) MTORRPTORMLST8PIK3CARICTOR
SCHEMBL29523016 0.75 MTOR (0.74) 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