SCHEMBL20159112

SCHEMBL20159112

Cc1c(CN2CCN(c3ccccc3Cl)CC2)cc(C(=O)N2CCN(c3ccc(F)cn3)CC2)n1C

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTOR P42345 6/20 0.58
RPTOR Q8N122 6/20 0.58
MLST8 Q9BVC4 6/20 0.58
PPARG P37231 1/20 0.43
HTR7 P34969 1/20 0.42
SLC27A1 Q6PCB7 2/20 0.42
PRKAA2 P54646 1/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
PLA2G1B P04054 1/20 0.41
RAB9A P51151 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41
MAPT P10636 1/20 0.41
RBP4 P02753 1/20 0.40
PARP1 P09874 1/20 0.40
PARP2 Q9UGN5 1/20 0.40

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
SCHEMBL20159019 0.90 MTOR (0.59) MTORRPTORMLST8HTR7ALDH1A1
SCHEMBL20159153 0.89 MTOR (0.61) MTORRPTORMLST8PPARGSLC27A1
SCHEMBL20140500 0.87 MTOR (0.67) MTORRPTORMLST8HTR7ALDH1A1
SCHEMBL20159267 0.85 MTOR (0.56) MTORRPTORMLST8HTR7ALDH1A1
SCHEMBL20140543 0.85 MTOR (0.65) MTORRPTORMLST8HTR7ALDH1A1
SCHEMBL20159110 0.84 MTOR (0.57) MTORRPTORMLST8HTR7ALDH1A1
SCHEMBL20159030 0.84 MTOR (0.62) MTORRPTORMLST8HTR7ALDH1A1
SCHEMBL20159289 0.83 MTOR (0.63) MTORRPTORMLST8HTR7MAPT
SCHEMBL20140534 0.83 MTOR (0.63) MTORRPTORMLST8HTR7MAPT
SCHEMBL20159067 0.83 MTOR (0.65) MTORRPTORMLST8HTR7ALDH1A1

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