SCHEMBL20159019

SCHEMBL20159019

Cc1c(CN2CCN(c3ccccc3Cl)CC2)cc(C(=O)N2CCN(c3ncc(F)cn3)CC2)n1C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 6/20 0.59
RPTOR Q8N122 6/20 0.59
MLST8 Q9BVC4 6/20 0.59
GALR3 O60755 1/20 0.44
NR2F2 P24468 1/20 0.44
HTR7 P34969 1/20 0.43
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
PLA2G1B P04054 1/20 0.42
RAB9A P51151 1/20 0.42
ATG4B Q9Y4P1 1/20 0.42
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
RBP4 P02753 1/20 0.41
DRD2 P14416 1/20 0.41
HTR2A P28223 1/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL20159030 0.91 MTOR (0.62) MTORRPTORMLST8HTR7ALDH1A1
SCHEMBL20159112 0.90 MTOR (0.58) MTORRPTORMLST8HTR7ALDH1A1
SCHEMBL20158934 0.87 MTOR (0.69) MTORRPTORMLST8
SCHEMBL20139615 0.87 MTOR (0.69) MTORRPTORMLST8
SCHEMBL20140543 0.86 MTOR (0.65) MTORRPTORMLST8HTR7ALDH1A1
SCHEMBL20140500 0.86 MTOR (0.67) MTORRPTORMLST8HTR7ALDH1A1
SCHEMBL20159067 0.85 MTOR (0.65) MTORRPTORMLST8HTR7ALDH1A1
SCHEMBL20140555 0.84 MTOR (0.78) MTORRPTORMLST8HTR7ALDH1A1
SCHEMBL20139877 0.84 MTOR (0.64) MTORRPTORMLST8HTR7ALDH1A1
SCHEMBL20140534 0.83 MTOR (0.63) MTORRPTORMLST8HTR7PTGS1

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