SCHEMBL20156993

SCHEMBL20156993

C=C(c1cc(CN2CCN(C3=CCCC=C3C#N)CC2)c(C)cc1C)N1CCN(c2cc(C)c(F)cc2C#N)CC1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MTOR P42345 2/20 0.37
RPTOR Q8N122 2/20 0.37
MLST8 Q9BVC4 2/20 0.37
ALDH1A1 P00352 4/20 0.35
MAPT P10636 2/20 0.32
HTT P42858 2/20 0.32
LMNA P02545 1/20 0.30
MAPK1 P28482 1/20 0.30
CASP1 P29466 1/20 0.30
CASP7 P55210 1/20 0.30

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
SCHEMBL20157327 0.79
SCHEMBL20157051 0.79 KDM4E (0.36) ALDH1A1
SCHEMBL20156916 0.77
SCHEMBL20156915 0.76 LMNA (0.33) ALDH1A1MAPTLMNAMAPK1
SCHEMBL20156838 0.75 ALDH1A1 (0.39) MTORRPTORMLST8ALDH1A1MAPT
SCHEMBL20157268 0.75 MTOR (0.39) MTORRPTORMLST8ALDH1A1
SCHEMBL20156836 0.75 MTOR (0.42) MTORRPTORMLST8ALDH1A1
SCHEMBL20140350 0.75 MTOR (0.54) MTORRPTORMLST8ALDH1A1MAPT
SCHEMBL20157533 0.75
SCHEMBL20157213 0.74 MTOR (0.41) MTORRPTORMLST8ALDH1A1

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