SCHEMBL20141480

SCHEMBL20141480

Cc1cc(C)c(C(=O)N2CCN(c3cccc(F)c3S(C)(=O)=NC(=O)OC(C)(C)C)CC2)cc1NC1CCN(c2ccccc2C#N)CC1

nearest known ligand 0.78

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTOR P42345 8/20 0.78
RPTOR Q8N122 8/20 0.78
MLST8 Q9BVC4 8/20 0.78
SLC6A9 P48067 7/20 0.38
KCNH2 Q12809 1/20 0.38
TP53 P04637 2/20 0.36
THRB P10828 1/20 0.36
MAPT P10636 1/20 0.36
DPP4 P27487 1/20 0.36

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
SCHEMBL20129599 0.90 MTOR (0.66) MTORRPTORMLST8SLC6A9KCNH2
SCHEMBL20133729 0.88 MTOR (1.00) MTORRPTORMLST8SLC6A9KCNH2
SCHEMBL20133711 0.88 MTOR (1.00) MTORRPTORMLST8SLC6A9KCNH2
SCHEMBL20133709 0.88 MTOR (1.00) MTORRPTORMLST8SLC6A9KCNH2
SCHEMBL20141306 0.86 MTOR (0.85) MTORRPTORMLST8MAPTDPP4
SCHEMBL20141237 0.85 MTOR (0.60) MTORRPTORMLST8MAPT
SCHEMBL20133534 0.85 MTOR (0.60) MTORRPTORMLST8MAPT
SCHEMBL21360300 0.83 MTOR (0.78) MTORRPTORMLST8MAPTDPP4
SCHEMBL20149875 0.83 MTOR (0.56) MTORRPTORMLST8DPP4
SCHEMBL20149868 0.82 MTOR (0.67) MTORRPTORMLST8TP53THRB

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-3538091-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF Navitor Pharmaceuticals, Inc. (US) 2019-09-18 EP disclosed
WO-2018089499-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed