SCHEMBL20141050

SCHEMBL20141050

Cc1cc(C)c(C(=O)N2CCCN(c3cccc(F)n3)CC2)cc1CN1CCN(c2ccccc2C#N)CC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTOR P42345 7/20 0.46
RPTOR Q8N122 7/20 0.46
MLST8 Q9BVC4 7/20 0.46
GRIN2B Q13224 3/20 0.44
PARP1 P09874 1/20 0.41
DRD2 P14416 4/20 0.41
DRD3 P35462 4/20 0.41
GBA1 P04062 2/20 0.40
DRD4 P21917 3/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
HTR2A P28223 1/20 0.39
THPO P40225 1/20 0.39
HIF1A Q16665 1/20 0.39

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
SCHEMBL20141546 0.92 MTOR (0.47) MTORRPTORMLST8GRIN2BDRD2
SCHEMBL20139962 0.89 MTOR (0.55) MTORRPTORMLST8GRIN2BDRD2
SCHEMBL20141707 0.87 MTOR (0.47) MTORRPTORMLST8GRIN2BPARP1
SCHEMBL20140865 0.86 MTOR (0.48) MTORRPTORMLST8PARP1DRD2
SCHEMBL20140200 0.86 MTOR (0.59) MTORRPTORMLST8PARP1DRD2
SCHEMBL20141543 0.84 MTOR (0.54) MTORRPTORMLST8PARP1DRD2
SCHEMBL20156964 0.83 MTOR (0.49) MTORRPTORMLST8PARP1DRD2
SCHEMBL20156928 0.83 MTOR (0.49) MTORRPTORMLST8PARP1DRD2
SCHEMBL20140719 0.83 MTOR (0.57) MTORRPTORMLST8PARP1DRD2
SCHEMBL20140246 0.83 MTOR (0.57) MTORRPTORMLST8PARP1DRD2

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