SCHEMBL20140103

SCHEMBL20140103

Cc1cc(C)c(C(=O)N2CCN(c3ccccc3C#N)CC2)cc1CN1CC(=O)N(c2ccccc2C#N)CC1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 7/20 0.46
RPTOR Q8N122 7/20 0.46
MLST8 Q9BVC4 7/20 0.46
NAMPT P43490 1/20 0.42
PARP1 P09874 1/20 0.40
DRD4 P21917 2/20 0.40
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
THRB P10828 1/20 0.39
TACR3 P29371 1/20 0.39
DPP4 P27487 1/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
CLK1 P49759 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HTR1A P08908 1/20 0.39
HTR1D P28221 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
SCHEMBL20140725 0.91 MTOR (0.47) MTORRPTORMLST8NAMPTPARP1
SCHEMBL20139945 0.88 MTOR (0.49) MTORRPTORMLST8NAMPTPARP1
SCHEMBL20141373 0.86 MTOR (0.49) MTORRPTORMLST8PARP1DRD4
SCHEMBL20140200 0.85 MTOR (0.59) MTORRPTORMLST8NAMPTPARP1
SCHEMBL20140818 0.83 P2RX7 (0.46) MTORRPTORMLST8DRD4DRD2
SCHEMBL20139962 0.81 MTOR (0.55) MTORRPTORMLST8NAMPTDRD4
SCHEMBL20156918 0.81 MTOR (0.55) MTORRPTORMLST8NAMPTPARP1
SCHEMBL20156824 0.80 MTOR (0.56) MTORRPTORMLST8DRD4DRD2
SCHEMBL20140235 0.80 MTOR (0.67) MTORRPTORMLST8DRD4DRD2
SCHEMBL20140824 0.80 MTOR (0.67) MTORRPTORMLST8DRD4DRD2

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