SCHEMBL20140679

SCHEMBL20140679

Cc1cc(C)c(C(=O)N2CCN(c3ccc(F)cc3C#N)CC2)cc1CN1CCN(c2ccc(F)cc2C#N)CC1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTOR P42345 4/20 0.51
RPTOR Q8N122 4/20 0.51
MLST8 Q9BVC4 4/20 0.51
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
GPR6 P46095 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
KCNH2 Q12809 1/20 0.43
P2RX7 Q99572 1/20 0.42
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
TRPC5 Q9UL62 1/20 0.41
CHRM4 P08173 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41

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
SCHEMBL20140719 0.95 MTOR (0.57) MTORRPTORMLST8ALDH1A1GAA
SCHEMBL20140246 0.95 MTOR (0.57) MTORRPTORMLST8ALDH1A1GAA
SCHEMBL20139897 0.90 GPR6 (0.46) MTORRPTORMLST8ALDH1A1GPR6
SCHEMBL20141466 0.89 MTOR (0.46) MTORRPTORMLST8ALDH1A1GAA
SCHEMBL20140350 0.89 MTOR (0.54) MTORRPTORMLST8ALDH1A1GAA
SCHEMBL20140200 0.87 MTOR (0.59) MTORRPTORMLST8ALDH1A1HTR2A
SCHEMBL20141003 0.86 MTOR (0.54) MTORRPTORMLST8ALDH1A1GAA
SCHEMBL20140926 0.86 MTOR (0.54) MTORRPTORMLST8ALDH1A1GAA
SCHEMBL20141543 0.85 MTOR (0.54) MTORRPTORMLST8ALDH1A1LMNA
SCHEMBL20156964 0.83 MTOR (0.49) MTORRPTORMLST8L3MBTL1LMNA

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