SCHEMBL20140684

SCHEMBL20140684

Cc1cc(C)c(C(=O)N2CCN(c3cc(F)c(C#N)cc3F)C[C@@H]2C)cc1C(=O)N1CCN(c2ccccc2C#N)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 5/20 0.51
RPTOR Q8N122 5/20 0.51
MLST8 Q9BVC4 5/20 0.51
CHRM2 P08172 1/20 0.49
GRM1 Q13255 2/20 0.47
MAPT P10636 4/20 0.41
TSHR P16473 2/20 0.41
LMNA P02545 2/20 0.41
HTT P42858 2/20 0.41
PARP1 P09874 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPK1 P28482 1/20 0.40
CPS1 P31327 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
DPP4 P27487 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NAMPT P43490 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
SCHEMBL20156938 1.00 MTOR (0.51) MTORRPTORMLST8CHRM2GRM1
SCHEMBL20140800 0.88 CHRM2 (0.53) MTORRPTORMLST8CHRM2GRM1
SCHEMBL20140629 0.87 CHRM2 (0.49) MTORRPTORMLST8CHRM2GRM1
SCHEMBL20139926 0.86 CHRM2 (0.50) MTORRPTORMLST8CHRM2GRM1
SCHEMBL20140022 0.86 CHRM2 (0.49) MTORRPTORMLST8CHRM2GRM1
SCHEMBL20156951 0.85 MTOR (0.47) MTORRPTORMLST8CHRM2GRM1
SCHEMBL20140908 0.85 CHRM2 (0.51) MTORRPTORMLST8CHRM2GRM1
SCHEMBL20140905 0.85 CHRM2 (0.51) MTORRPTORMLST8CHRM2GRM1
SCHEMBL20157190 0.84 GRM1 (0.47) MTORRPTORMLST8GRM1PARP1
SCHEMBL20156790 0.84 CHRM2 (0.48) MTORRPTORMLST8CHRM2GRM1

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