SCHEMBL20139237

SCHEMBL20139237

Cc1c(CN2CCN(c3ccccc3Cl)CC2)cc(C(=O)N2CCN(c3ncccn3)CC2C)n1C

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTOR P42345 5/20 0.69
RPTOR Q8N122 5/20 0.69
MLST8 Q9BVC4 5/20 0.69
SLC6A7 Q99884 2/20 0.48
CHRM4 P08173 1/20 0.46
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
PLA2G1B P04054 1/20 0.41
RAB9A P51151 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41
CHRM2 P08172 3/20 0.40
CHRM1 P11229 2/20 0.40
GRM1 Q13255 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.39
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
CHRM3 P20309 1/20 0.39

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
SCHEMBL20139235 1.00 MTOR (0.69) MTORRPTORMLST8SLC6A7CHRM4
SCHEMBL20158934 0.92 MTOR (0.69) MTORRPTORMLST8SLC6A7CHRM4
SCHEMBL20139615 0.92 MTOR (0.69) MTORRPTORMLST8SLC6A7CHRM4
SCHEMBL20158922 0.88 MTOR (0.64) MTORRPTORMLST8CHRM4KDM4E
SCHEMBL20141650 0.86 MTOR (0.71) MTORRPTORMLST8CHRM4KDM4E
SCHEMBL20141653 0.86 MTOR (0.71) MTORRPTORMLST8CHRM4KDM4E
SCHEMBL20159030 0.86 MTOR (0.62) MTORRPTORMLST8KDM4EALDH1A1
SCHEMBL20141139 0.85 MTOR (0.72) MTORRPTORMLST8CHRM4KDM4E
SCHEMBL20159013 0.85 MTOR (0.80) MTORRPTORMLST8CHRM4KDM4E
SCHEMBL20141137 0.85 MTOR (0.72) MTORRPTORMLST8CHRM4KDM4E

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