SCHEMBL39908

SCHEMBL39908

O=C1CCNc2c1c(C1CC3CCC(C1)N3C(=O)c1nnc[nH]1)nc1c(-c3ccc(-c4ccc(O)c(F)c4)nc3)cnn21

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MTOR P42345 4/20 0.45
RPTOR Q8N122 4/20 0.45
MLST8 Q9BVC4 4/20 0.45
ALK Q9UM73 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
SCHEMBL45585 0.91 MTOR (0.46) MTORRPTORMLST8
SCHEMBL45650 0.91 MTOR (0.45) MTORRPTORMLST8
SCHEMBL45689 0.90 MTOR (0.47) MTORRPTORMLST8
SCHEMBL31381 0.90 MTOR (0.56) MTORRPTORMLST8
SCHEMBL15026244 0.89 MTOR (0.47) MTORRPTORMLST8
SCHEMBL15026243 0.88 MTOR (0.48) MTORRPTORMLST8
SCHEMBL45734 0.87 MTOR (0.47) MTORRPTORMLST8
SCHEMBL15026248 0.87 MTOR (0.47) MTORRPTORMLST8
SCHEMBL45630 0.86 MTOR (0.46) MTORRPTORMLST8
SCHEMBL45694 0.85 MTOR (0.40) MTORRPTORMLST8ALK

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012027234-A1 FUSED TRICYCLIC INHIBITORS OF MAMMALIAN TARGET OF RAPAMYCIN SCHERING CORPORATION (US) 2012-03-01 WO disclosed