SCHEMBL20149900

SCHEMBL20149900

Cc1cc(C)c(C(=O)N2CCN(c3ncccc3SN)CC2)c(C)c1NC1CCN(c2ccccc2C#N)CC1

nearest known ligand 0.75

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTOR P42345 10/20 0.75
RPTOR Q8N122 10/20 0.75
MLST8 Q9BVC4 10/20 0.75
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
RECQL P46063 1/20 0.40
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
PARP1 P09874 3/20 0.38
PARP2 Q9UGN5 3/20 0.38
PARP3 Q9Y6F1 3/20 0.38
CFTR P13569 1/20 0.38
PANK3 Q9H999 1/20 0.37

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
SCHEMBL20150032 0.90 MTOR (0.61) MTORRPTORMLST8KDM4EALDH1A1
SCHEMBL20133682 0.90 MTOR (0.82) MTORRPTORMLST8KDM4EALDH1A1
SCHEMBL25243583 0.87 MTOR (0.77) MTORRPTORMLST8KDM4EALDH1A1
SCHEMBL20149906 0.86 MTOR (0.54) MTORRPTORMLST8
SCHEMBL22693277 0.86 MTOR (0.65) MTORRPTORMLST8KDM4EALDH1A1
SCHEMBL20133689 0.85 MTOR (1.00) MTORRPTORMLST8KDM4EALDH1A1
SCHEMBL20149740 0.81 MTOR (0.69) MTORRPTORMLST8KDM4EALDH1A1
SCHEMBL21360301 0.81 MTOR (0.78) MTORRPTORMLST8KDM4EALDH1A1
SCHEMBL20133715 0.81 MTOR (0.70) MTORRPTORMLST8KDM4EALDH1A1
SCHEMBL20133769 0.80 MTOR (0.67) 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