SCHEMBL20139236

SCHEMBL20139236

Cc1c(CN2CCN(c3ccccc3Cl)CC2)cc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)n1C

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTOR P42345 5/20 0.68
RPTOR Q8N122 5/20 0.68
MLST8 Q9BVC4 5/20 0.68
HTR1A P08908 5/20 0.51
HTR7 P34969 4/20 0.51
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.48
MAPK1 P28482 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL20140555 0.93 MTOR (0.78) MTORRPTORMLST8HTR7MEN1
SCHEMBL20159067 0.92 MTOR (0.65) MTORRPTORMLST8HTR1AHTR7
SCHEMBL20139283 0.90 MTOR (0.63) MTORRPTORMLST8HTR7MEN1
SCHEMBL20141905 0.90 MTOR (0.63) MTORRPTORMLST8HTR7MEN1
SCHEMBL20158919 0.89 MTOR (0.72) MTORRPTORMLST8HTR7ALDH1A1
SCHEMBL20140500 0.88 MTOR (0.67) MTORRPTORMLST8HTR7ALDH1A1
SCHEMBL20140543 0.88 MTOR (0.65) MTORRPTORMLST8HTR7MEN1
SCHEMBL20139877 0.87 MTOR (0.64) MTORRPTORMLST8HTR7MEN1
SCHEMBL20140826 0.86 MTOR (0.67) MTORRPTORMLST8HTR1AHTR7
SCHEMBL20139510 0.86 MTOR (0.68) MTORRPTORMLST8ALDH1A1

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
WO-2018089493-A1 PYRROLE mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed
WO-2018089493-A1 PYRROLE mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed