SCHEMBL45018

SCHEMBL45018

O=C1CCNc2c1c(C1CC3CCC(C1)N3C(=O)C1=NNCN1)nc1c(-c3ccc(-c4ccccn4)nc3)cnn21

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MTOR P42345 5/20 0.45
RPTOR Q8N122 5/20 0.45
MLST8 Q9BVC4 5/20 0.45
PLAT P00750 1/20 0.31
HCRTR2 O43614 1/20 0.31

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
SCHEMBL15026243 0.85 MTOR (0.48) MTORRPTORMLST8PLATHCRTR2
SCHEMBL39348 0.80 MTOR (0.52) MTORRPTORMLST8
SCHEMBL31381 0.79 MTOR (0.56) MTORRPTORMLST8HCRTR2
SCHEMBL45632 0.77 MTOR (0.42) MTORRPTORMLST8
SCHEMBL45689 0.77 MTOR (0.47) MTORRPTORMLST8
SCHEMBL45585 0.77 MTOR (0.46) MTORRPTORMLST8HCRTR2
SCHEMBL45584 0.77 MTOR (0.41) MTORRPTORMLST8HCRTR2
SCHEMBL45734 0.76 MTOR (0.47) MTORRPTORMLST8
SCHEMBL45630 0.76 MTOR (0.46) MTORRPTORMLST8
SCHEMBL31031 0.75 MTOR (0.45) MTORRPTORMLST8PLAT

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-2608668-B1 FUSED TRICYCLIC INHIBITORS OF MAMMALIAN TARGET OF RAPAMYCIN MERCK SHARP & DOHME (US) 2016-06-01 EP disclosed
WO-2012027234-A1 FUSED TRICYCLIC INHIBITORS OF MAMMALIAN TARGET OF RAPAMYCIN SCHERING CORPORATION (US) 2012-03-01 WO disclosed