SCHEMBL20157054

SCHEMBL20157054

Cc1cc(C)c(C(=O)N2CCN(c3cccc4cnn(C)c34)CC2)cc1CN1CCN(c2ccccc2C#N)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 8/20 0.49
RPTOR Q8N122 8/20 0.49
MLST8 Q9BVC4 8/20 0.49
ACKR3 P25106 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
GRIN2B Q13224 1/20 0.41
DRD4 P21917 3/20 0.40
HTR1A P08908 2/20 0.40
DRD2 P14416 2/20 0.40
DRD3 P35462 2/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
HTR2A P28223 1/20 0.40

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
SCHEMBL20157052 0.89 MTOR (0.47) MTORRPTORMLST8ACKR3MEN1
SCHEMBL20140200 0.87 MTOR (0.59) MTORRPTORMLST8MEN1KMT2A
SCHEMBL20141603 0.87 MTOR (0.51) MTORRPTORMLST8MEN1KMT2A
SCHEMBL20156828 0.85 MTOR (0.54) MTORRPTORMLST8MEN1KMT2A
SCHEMBL20157274 0.84 MTOR (0.49) MTORRPTORMLST8DRD4DRD2
SCHEMBL20139962 0.84 MTOR (0.55) MTORRPTORMLST8GRIN2BDRD4
SCHEMBL20156918 0.84 MTOR (0.55) MTORRPTORMLST8MEN1KMT2A
SCHEMBL20140158 0.83 MTOR (0.51) MTORRPTORMLST8DRD4DRD2
SCHEMBL20139928 0.83 MTOR (0.56) MTORRPTORMLST8DRD4DRD2
SCHEMBL20140235 0.83 MTOR (0.67) MTORRPTORMLST8MEN1KMT2A

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