SCHEMBL20140979

SCHEMBL20140979

Cc1ccc(N(c2ccccc2C#N)C2CCNCC2)c(C)c1C(=O)N1CCN(c2cccc(F)c2S(N)(=O)=O)CC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTOR P42345 7/20 0.46
RPTOR Q8N122 7/20 0.46
MLST8 Q9BVC4 7/20 0.46
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
POLB P06746 2/20 0.34
CCR5 P51681 1/20 0.34
ALDH1A1 P00352 2/20 0.33
PARP1 P09874 1/20 0.33
RORC P51449 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
SCHEMBL20141597 0.82 MTOR (0.54) MTORRPTORMLST8CA12CA1
SCHEMBL20141317 0.80 MTOR (0.46) MTORRPTORMLST8CA12CA1
SCHEMBL20141403 0.80 MTOR (0.43) MTORRPTORMLST8PARP1RORC
SCHEMBL20141195 0.79 MTOR (0.51) MTORRPTORMLST8CA12CA1
SCHEMBL20129694 0.79 MTOR (0.65) MTORRPTORMLST8CYP1A2CYP2C9
SCHEMBL20141263 0.78 MTOR (0.46) MTORRPTORMLST8CA12CA1
SCHEMBL20141210 0.78 MTOR (0.65) MTORRPTORMLST8CA12CA1
SCHEMBL20140814 0.77 MTOR (0.45) MTORRPTORMLST8CA12CA1
SCHEMBL20140851 0.77 MTOR (0.44) MTORRPTORMLST8CA12CA1
SCHEMBL20142302 0.76 MTOR (0.55) 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