SCHEMBL20140642

SCHEMBL20140642

N#Cc1cc(F)c(N2CCN(C(=O)c3cc(CN4CCN(c5ccccc5C#N)CC4)c(F)cc3F)CC2)cc1F

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTOR P42345 6/20 0.51
RPTOR Q8N122 6/20 0.51
MLST8 Q9BVC4 6/20 0.51
DPP4 P27487 1/20 0.50
PARP1 P09874 1/20 0.47
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TACR3 P29371 1/20 0.42
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
CHRM2 P08172 1/20 0.41
HTR7 P34969 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
KCNH2 Q12809 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
SCHEMBL20139960 0.94 MTOR (0.56) MTORRPTORMLST8DPP4PARP1
SCHEMBL20140097 0.87 MTOR (0.51) MTORRPTORMLST8DPP4PARP1
SCHEMBL20139883 0.85 MTOR (0.54) MTORRPTORMLST8DPP4PARP1
SCHEMBL20141188 0.85 MTOR (0.56) MTORRPTORMLST8DPP4PARP1
SCHEMBL20140601 0.84 DPP4 (0.52) MTORRPTORMLST8DPP4KDM4E
SCHEMBL20142366 0.81 MTOR (0.46) MTORRPTORMLST8DPP4PARP1
SCHEMBL20140926 0.81 MTOR (0.54) MTORRPTORMLST8DPP4PARP1
SCHEMBL20141003 0.81 MTOR (0.54) MTORRPTORMLST8DPP4PARP1
SCHEMBL20157369 0.81 MTOR (0.46) MTORRPTORMLST8DPP4PARP1
SCHEMBL20156982 0.79 MTOR (0.48) 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