SCHEMBL20149904

SCHEMBL20149904

Cc1cc(C)c(C(=O)N2CCN(c3cccnc3)CC2)c(C)c1NC1CCN(c2ncccc2Cl)CC1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MTOR P42345 4/20 0.52
RPTOR Q8N122 4/20 0.52
MLST8 Q9BVC4 4/20 0.52
MALT1 Q9UDY8 9/20 0.45
EHMT2 Q96KQ7 1/20 0.41
SMO Q99835 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
SCHEMBL20133581 0.87 MTOR (0.62) MTORRPTORMLST8MALT1
SCHEMBL20133783 0.85 MTOR (0.60) MTORRPTORMLST8MALT1
SCHEMBL20149906 0.85 MTOR (0.54) MTORRPTORMLST8MALT1
SCHEMBL20133849 0.84 MTOR (0.57) MTORRPTORMLST8MALT1
SCHEMBL20133577 0.83 MALT1 (0.53) MTORRPTORMLST8MALT1
SCHEMBL20133576 0.83 MTOR (0.75) MTORRPTORMLST8MALT1
SCHEMBL20141044 0.83 MTOR (0.65) MTORRPTORMLST8MALT1
SCHEMBL21340096 0.83 MTOR (0.65) MTORRPTORMLST8MALT1
SCHEMBL20133684 0.83 MTOR (0.65) MTORRPTORMLST8MALT1
SCHEMBL22693247 0.81 MTOR (0.59) MTORRPTORMLST8MALT1SMO

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-2018089499-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed