SCHEMBL20141024

SCHEMBL20141024

Cc1cc(C)c(N(c2ccccc2C#N)C2CNC2)cc1C(=O)N1CCN(c2ccccc2S(N)(=O)=O)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 6/20 0.46
RPTOR Q8N122 6/20 0.46
MLST8 Q9BVC4 6/20 0.46
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37
GRM5 P41594 1/20 0.35
GFER P55789 1/20 0.35
EED O75530 1/20 0.35
TACR3 P29371 1/20 0.34
ALDH1A1 P00352 2/20 0.34
NAMPT P43490 1/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL20141228 0.94 MTOR (0.45) MTORRPTORMLST8CA12CA1
SCHEMBL20140814 0.88 MTOR (0.45) MTORRPTORMLST8CA12CA1
SCHEMBL20141317 0.86 MTOR (0.46) MTORRPTORMLST8CA12CA1
SCHEMBL20141403 0.86 MTOR (0.43) MTORRPTORMLST8LMNAMAPT
SCHEMBL20141163 0.85 MTOR (0.43) MTORRPTORMLST8CA12CA1
SCHEMBL20141741 0.85 MTOR (0.42) MTORRPTORMLST8EEDTACR3
SCHEMBL20141263 0.84 MTOR (0.46) MTORRPTORMLST8CA12CA1
SCHEMBL21360326 0.83 MTOR (0.52) MTORRPTORMLST8CA12CA1
SCHEMBL20140851 0.82 MTOR (0.44) MTORRPTORMLST8CA12CA1
SCHEMBL20141169 0.82 MTOR (0.45) MTORRPTORMLST8CA12CA1

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
EP-3538091-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF Navitor Pharmaceuticals, Inc. (US) 2019-09-18 EP disclosed
WO-2018089499-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed