SCHEMBL20140719

SCHEMBL20140719

Cc1cc(C)c(C(=O)N2CCN(c3ccc(F)cc3C#N)CC2)cc1CN1CCN(c2ccccc2C#N)CC1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTOR P42345 7/20 0.57
RPTOR Q8N122 7/20 0.57
MLST8 Q9BVC4 7/20 0.57
PARP1 P09874 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
DRD4 P21917 2/20 0.44
DRD2 P14416 1/20 0.44
DRD3 P35462 1/20 0.44
GPR6 P46095 1/20 0.43
DPP4 P27487 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
KCNH2 Q12809 1/20 0.42

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
SCHEMBL20140246 1.00 MTOR (0.57) MTORRPTORMLST8PARP1ALDH1A1
SCHEMBL20140679 0.95 MTOR (0.51) MTORRPTORMLST8ALDH1A1GAA
SCHEMBL20140200 0.92 MTOR (0.59) MTORRPTORMLST8PARP1ALDH1A1
SCHEMBL20141003 0.91 MTOR (0.54) MTORRPTORMLST8PARP1ALDH1A1
SCHEMBL20140926 0.91 MTOR (0.54) MTORRPTORMLST8PARP1ALDH1A1
SCHEMBL20141543 0.91 MTOR (0.54) MTORRPTORMLST8PARP1ALDH1A1
SCHEMBL20156918 0.89 MTOR (0.55) MTORRPTORMLST8PARP1ALDH1A1
SCHEMBL20139962 0.89 MTOR (0.55) MTORRPTORMLST8ALDH1A1DRD4
SCHEMBL20139972 0.88 MTOR (0.48) MTORRPTORMLST8PARP1ALDH1A1
SCHEMBL20156964 0.88 MTOR (0.49) MTORRPTORMLST8PARP1L3MBTL1

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