SCHEMBL20140929

SCHEMBL20140929

Cc1cc(C)c(N(c2ccccc2C#N)C2CCNCC2)cc1C(=O)N1CCN(c2cccnc2S(N)(=O)=O)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 7/20 0.57
RPTOR Q8N122 7/20 0.57
MLST8 Q9BVC4 7/20 0.57
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
LMNA P02545 1/20 0.34
HDAC2 Q92769 1/20 0.34
PARP1 P09874 3/20 0.34
PARP2 Q9UGN5 1/20 0.34
PARP3 Q9Y6F1 1/20 0.34
RBP4 P02753 1/20 0.34
TP53 P04637 1/20 0.34
CFTR P13569 1/20 0.33
TACR3 P29371 1/20 0.33
GPR6 P46095 1/20 0.33

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
SCHEMBL20141210 0.89 MTOR (0.65) MTORRPTORMLST8KDM4EALDH1A1
SCHEMBL20142302 0.89 MTOR (0.55) MTORRPTORMLST8KDM4EALDH1A1
SCHEMBL20141263 0.85 MTOR (0.46) MTORRPTORMLST8CA12CA1
SCHEMBL20141228 0.85 MTOR (0.45) MTORRPTORMLST8CA12CA1
SCHEMBL20140814 0.85 MTOR (0.45) MTORRPTORMLST8ALDH1A1CA12
SCHEMBL20141403 0.83 MTOR (0.43) MTORRPTORMLST8LMNAPARP1
SCHEMBL20141317 0.83 MTOR (0.46) MTORRPTORMLST8CA12CA1
SCHEMBL20141054 0.82 MTOR (0.48) MTORRPTORMLST8ALDH1A1LMNA
SCHEMBL20141741 0.82 MTOR (0.42) MTORRPTORMLST8KDM4EALDH1A1
SCHEMBL20141671 0.82 MTOR (0.44) MTORRPTORMLST8KDM4EALDH1A1

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