Sugi Predict

Sugi Predict / Compounds / SCHEMBL20157039

SCHEMBL20157039

SCHEMBL20157039

Cc1cc(C)c(C(=O)OCc2ccc(N3CCN(Cc4cc(C(=O)N5CCN(c6cc(F)c(S(N)(=O)=O)cc6F)CC5)c(C)cc4C)CC3)c(C#N)c2)cc1CN1CCN(c2ccccc2C#N)CC1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 8/20 0.45
▸ RPTOR Q8N122 8/20 0.45
▸ MLST8 Q9BVC4 8/20 0.45
▸ PARP1 P09874 1/20 0.40
▸ SLC6A9 P48067 3/20 0.38
▸ DPP4 P27487 1/20 0.35
▸ GRIN2B Q13224 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34

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
SCHEMBL20140675 0.91 MTOR (0.49) MTORRPTORMLST8PARP1SLC6A9
SCHEMBL20157359 0.85 MTOR (0.50) MTORRPTORMLST8PARP1DPP4
SCHEMBL20140558 0.81 MTOR (0.51) MTORRPTORMLST8PARP1DPP4
SCHEMBL20141890 0.81 MTOR (0.51) MTORRPTORMLST8PARP1DPP4
SCHEMBL20141003 0.80 MTOR (0.54) MTORRPTORMLST8PARP1DPP4
SCHEMBL20140926 0.80 MTOR (0.54) MTORRPTORMLST8PARP1DPP4
SCHEMBL20140719 0.78 MTOR (0.57) MTORRPTORMLST8PARP1DPP4
SCHEMBL20140246 0.78 MTOR (0.57) MTORRPTORMLST8PARP1DPP4
SCHEMBL20141543 0.78 MTOR (0.54) MTORRPTORMLST8PARP1DPP4
SCHEMBL20139962 0.78 MTOR (0.55) MTORRPTORMLST8GRIN2BALDH1A1

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-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 — — WO disclosed