SCHEMBL20139904

SCHEMBL20139904

Cc1cc(C)c(C(=O)N2CCN(c3cc(F)c(C#N)cc3F)CC2)cc1CN1CC2CCC(C1)N2c1ccccc1C#N

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTOR P42345 9/20 0.48
RPTOR Q8N122 9/20 0.48
MLST8 Q9BVC4 9/20 0.48
CHRM2 P08172 1/20 0.40
DPP4 P27487 1/20 0.39
PARP1 P09874 1/20 0.39
TSHR P16473 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NAMPT P43490 1/20 0.37
MAPT P10636 2/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
ALDH1A1 P00352 2/20 0.37
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37
HPGD P15428 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL20139860 0.92 MTOR (0.46) MTORRPTORMLST8CHRM2DPP4
SCHEMBL20140926 0.84 MTOR (0.54) MTORRPTORMLST8DPP4PARP1
SCHEMBL20141003 0.84 MTOR (0.54) MTORRPTORMLST8DPP4PARP1
SCHEMBL20156834 0.83 MTOR (0.54) MTORRPTORMLST8DPP4PARP1
SCHEMBL20141543 0.83 MTOR (0.54) MTORRPTORMLST8DPP4PARP1
SCHEMBL20156801 0.82 MTOR (0.49) MTORRPTORMLST8NAMPTALDH1A1
SCHEMBL20140200 0.81 MTOR (0.59) MTORRPTORMLST8PARP1NAMPT
SCHEMBL20140800 0.81 CHRM2 (0.53) MTORRPTORMLST8CHRM2DRD2
SCHEMBL20140996 0.80 MTOR (0.44) MTORRPTORMLST8CHRM2DPP4
SCHEMBL20157109 0.80 MTOR (0.47) MTORRPTORMLST8DPP4PARP1

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