SCHEMBL20141671

SCHEMBL20141671

Cc1cc(C)c(N(c2ccccc2C#N)C2CCNCC2)cc1C(=O)N1CCN(c2ncccc2S(N)(=O)=O)[C@@H](C)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 4/20 0.44
RPTOR Q8N122 4/20 0.44
MLST8 Q9BVC4 4/20 0.44
HCRTR1 O43613 2/20 0.34
HCRTR2 O43614 2/20 0.34
SMO Q99835 3/20 0.33
PARP1 P09874 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SLC6A7 Q99884 1/20 0.33
GRM1 Q13255 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HDAC2 Q92769 1/20 0.32
LMNA P02545 2/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL20141091 0.88 MTOR (0.45) MTORRPTORMLST8HCRTR1HCRTR2
SCHEMBL20140929 0.82 MTOR (0.57) MTORRPTORMLST8PARP1CA12
SCHEMBL20140932 0.80 MTOR (0.56) MTORRPTORMLST8PARP1CA12
SCHEMBL20141263 0.80 MTOR (0.46) MTORRPTORMLST8PARP1CA12
SCHEMBL20141228 0.79 MTOR (0.45) MTORRPTORMLST8PARP1CA12
SCHEMBL20140981 0.78 MTOR (0.46) MTORRPTORMLST8SMOCA12
SCHEMBL20133696 0.78 MTOR (0.67) MTORRPTORMLST8HCRTR1HCRTR2
SCHEMBL20140814 0.78 MTOR (0.45) MTORRPTORMLST8PARP1CA12
SCHEMBL20141403 0.77 MTOR (0.43) MTORRPTORMLST8PARP1LMNA
SCHEMBL20141317 0.77 MTOR (0.46) MTORRPTORMLST8PARP1CA12

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