SCHEMBL20157149

SCHEMBL20157149

C=C(/C(C#N)=C\C)N1CCN(Cc2cc(C(=O)N3CCN(c4cccc5cn[nH]c45)C[C@@H]3C)c(C)cc2C)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 3/20 0.39
RPTOR Q8N122 3/20 0.39
MLST8 Q9BVC4 3/20 0.39
HTR1A P08908 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
GRIN2B Q13224 1/20 0.31
CALCA P06881 1/20 0.31
DDR1 Q08345 2/20 0.31
LMNA P02545 1/20 0.31
TXK P42681 1/20 0.31
BTK Q06187 1/20 0.31
ITK Q08881 1/20 0.31
ROCK2 O75116 1/20 0.31
IDO1 P14902 1/20 0.30
ACACB O00763 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
KRAS P01116 1/20 0.30

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
SCHEMBL20156826 0.86 MTOR (0.46) MTORRPTORMLST8HTR1AMEN1
SCHEMBL20156828 0.77 MTOR (0.54) MTORRPTORMLST8HTR1AMEN1
SCHEMBL20141561 0.77 MTOR (0.43) MTORRPTORMLST8MEN1KMT2A
SCHEMBL20141564 0.77 MTOR (0.43) MTORRPTORMLST8MEN1KMT2A
SCHEMBL20156797 0.76 MEN1 (0.41) MTORRPTORMLST8MEN1KMT2A
SCHEMBL20141016 0.74 MTOR (0.53) MTORRPTORMLST8MEN1KMT2A
SCHEMBL20157052 0.73 MTOR (0.47) MTORRPTORMLST8HTR1AMEN1
SCHEMBL20141846 0.71 MTOR (0.59) MTORRPTORMLST8MEN1KMT2A
SCHEMBL20156832 0.71 MTOR (0.59) MTORRPTORMLST8MEN1KMT2A
SCHEMBL20140055 0.71 MTOR (0.46) MTORRPTORMLST8MEN1KMT2A

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-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed