SCHEMBL20150032

SCHEMBL20150032

Cc1cc(C)c(C(=O)N2CCN(c3ncccc3SN)CC2)c(C)c1NC1CCN(c2ccccc2C#N)CC1C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 9/20 0.61
RPTOR Q8N122 9/20 0.61
MLST8 Q9BVC4 9/20 0.61
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
RECQL P46063 1/20 0.38
PARP1 P09874 3/20 0.36
PARP2 Q9UGN5 3/20 0.36
PARP3 Q9Y6F1 3/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
CFTR P13569 1/20 0.36
PANK3 Q9H999 1/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
JAK3 P52333 1/20 0.35
KCNH2 Q12809 1/20 0.35

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
SCHEMBL20133539 0.90 MTOR (0.67) MTORRPTORMLST8KDM4EALDH1A1
SCHEMBL20140834 0.90 MTOR (0.67) MTORRPTORMLST8KDM4EALDH1A1
SCHEMBL20133714 0.90 MTOR (0.67) MTORRPTORMLST8KDM4EALDH1A1
SCHEMBL20133769 0.90 MTOR (0.67) MTORRPTORMLST8KDM4EALDH1A1
SCHEMBL20133767 0.90 MTOR (0.67) MTORRPTORMLST8KDM4EALDH1A1
SCHEMBL20149900 0.90 MTOR (0.75) MTORRPTORMLST8KDM4EALDH1A1
SCHEMBL20133682 0.80 MTOR (0.82) MTORRPTORMLST8KDM4EALDH1A1
SCHEMBL20129720 0.79 MTOR (0.49) MTORRPTORMLST8KDM4EALDH1A1
SCHEMBL20129726 0.79 MTOR (0.49) MTORRPTORMLST8KDM4EALDH1A1
SCHEMBL20129724 0.79 MTOR (0.49) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018089499-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed