SCHEMBL20140738

SCHEMBL20140738

Cc1cc(C)c(C(=O)N2CCN(c3ccccc3C#N)CC2)nc1CN1CCN(c2ccccc2C#N)CC1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTOR P42345 6/20 0.54
RPTOR Q8N122 6/20 0.54
MLST8 Q9BVC4 6/20 0.54
DRD4 P21917 6/20 0.46
TACR3 P29371 1/20 0.46
DRD2 P14416 3/20 0.46
DRD3 P35462 2/20 0.46
PHGDH O43175 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
HTR2A P28223 1/20 0.46
THPO P40225 1/20 0.46
HIF1A Q16665 1/20 0.46
PARP1 P09874 1/20 0.43
AR P10275 1/20 0.43

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
SCHEMBL20157125 0.92 MTOR (0.48) MTORRPTORMLST8DRD4TACR3
SCHEMBL20140795 0.92 MTOR (0.58) MTORRPTORMLST8DRD4DRD2
SCHEMBL20140576 0.90 MTOR (0.48) MTORRPTORMLST8DRD4TACR3
SCHEMBL20157127 0.90 MTOR (0.49) MTORRPTORMLST8DRD4TACR3
SCHEMBL20140750 0.90 DRD4 (0.48) MTORRPTORMLST8DRD4DRD2
SCHEMBL20157126 0.89 MTOR (0.48) MTORRPTORMLST8DRD2DRD3
SCHEMBL20140551 0.88 MTOR (0.52) MTORRPTORMLST8DRD4TACR3
SCHEMBL20139948 0.87 DRD4 (0.48) MTORRPTORMLST8DRD4DRD2
Trifluoroacetic Acid SCHEMBL20140494 0.85 PPARG (0.46) MTORRPTORMLST8DRD2DRD3
SCHEMBL20141000 0.84 MTOR (0.52) MTORRPTORMLST8DRD4TACR3

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