SCHEMBL20141597

SCHEMBL20141597

Cc1cc(C)c(N(c2c(F)cccc2C#N)C2CCNCC2)cc1C(=O)N1CCN(c2cccc(F)c2S(N)(=O)=O)CC1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTOR P42345 6/20 0.54
RPTOR Q8N122 6/20 0.54
MLST8 Q9BVC4 6/20 0.54
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
LMNA P02545 2/20 0.36
SLC6A9 P48067 6/20 0.36
TP53 P04637 1/20 0.35
PARP1 P09874 1/20 0.35
MAPT P10636 1/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
ALDH1A1 P00352 1/20 0.34
POLB P06746 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
SCHEMBL20141195 0.94 MTOR (0.51) MTORRPTORMLST8CA12CA1
SCHEMBL20141263 0.83 MTOR (0.46) MTORRPTORMLST8CA12CA1
SCHEMBL20140979 0.82 MTOR (0.46) MTORRPTORMLST8CA12CA1
SCHEMBL20141403 0.81 MTOR (0.43) MTORRPTORMLST8LMNASLC6A9
SCHEMBL20141317 0.81 MTOR (0.46) MTORRPTORMLST8CA12CA1
SCHEMBL20141405 0.80 NOTUM (0.38) MTORRPTORMLST8
SCHEMBL20140929 0.79 MTOR (0.57) MTORRPTORMLST8CA12CA1
SCHEMBL20141228 0.78 MTOR (0.45) MTORRPTORMLST8CA12CA1
SCHEMBL20141054 0.78 MTOR (0.48) MTORRPTORMLST8LMNATP53
SCHEMBL20140814 0.78 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