SCHEMBL20141210

SCHEMBL20141210

Cc1cc(C)c(N(c2ccccc2C#N)C2CCNCC2)c(C)c1C(=O)N1CCN(c2cccnc2S(N)(=O)=O)CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 8/20 0.65
RPTOR Q8N122 8/20 0.65
MLST8 Q9BVC4 8/20 0.65
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CA12 O43570 3/20 0.36
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
CA9 Q16790 3/20 0.36
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
CCR5 P51681 1/20 0.34
TP53 P04637 1/20 0.34
PARP1 P09874 1/20 0.34
PARP2 Q9UGN5 1/20 0.34
PARP3 Q9Y6F1 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TACR3 P29371 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
SCHEMBL20142302 0.91 MTOR (0.55) MTORRPTORMLST8ALDH1A1KDM4E
SCHEMBL20140935 0.91 MTOR (0.53) MTORRPTORMLST8ALDH1A1KDM4E
SCHEMBL20140929 0.89 MTOR (0.57) MTORRPTORMLST8ALDH1A1KDM4E
SCHEMBL20140932 0.89 MTOR (0.56) MTORRPTORMLST8ALDH1A1KDM4E
SCHEMBL20140871 0.84 MTOR (0.53) MTORRPTORMLST8ALDH1A1KDM4E
SCHEMBL20140981 0.81 MTOR (0.46) MTORRPTORMLST8ALDH1A1KDM4E
SCHEMBL20133689 0.79 MTOR (1.00) MTORRPTORMLST8ALDH1A1KDM4E
SCHEMBL20140979 0.78 MTOR (0.46) MTORRPTORMLST8ALDH1A1KDM4E
SCHEMBL20140814 0.77 MTOR (0.45) MTORRPTORMLST8ALDH1A1CA12
SCHEMBL20140851 0.76 MTOR (0.44) MTORRPTORMLST8ALDH1A1KDM4E

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