SCHEMBL20140543

SCHEMBL20140543

Cc1c(CN2CCN(c3ccccc3Cl)CC2)cc(C(=O)N2CCN(c3cc(F)cc(F)c3)CC2)n1C

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTOR P42345 6/20 0.65
RPTOR Q8N122 6/20 0.65
MLST8 Q9BVC4 6/20 0.65
HTR7 P34969 1/20 0.45
ALDH1A1 P00352 4/20 0.45
RAB9A P51151 2/20 0.45
KDM4E B2RXH2 1/20 0.45
PLA2G1B P04054 1/20 0.45
ATG4B Q9Y4P1 1/20 0.45
GAA P10253 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
DRD2 P14416 1/20 0.42
HTR2A P28223 1/20 0.42
POLB P06746 1/20 0.41
NPC1 O15118 1/20 0.41
HSP90AA1 P07900 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL20159067 0.93 MTOR (0.65) MTORRPTORMLST8HTR7ALDH1A1
SCHEMBL20140500 0.93 MTOR (0.67) MTORRPTORMLST8HTR7ALDH1A1
SCHEMBL20139877 0.92 MTOR (0.64) MTORRPTORMLST8HTR7ALDH1A1
SCHEMBL20140555 0.90 MTOR (0.78) MTORRPTORMLST8HTR7ALDH1A1
SCHEMBL20140534 0.89 MTOR (0.63) MTORRPTORMLST8HTR7SMN1; SMN2
SCHEMBL20159289 0.89 MTOR (0.63) MTORRPTORMLST8HTR7DRD2
SCHEMBL20141905 0.89 MTOR (0.63) MTORRPTORMLST8HTR7ALDH1A1
SCHEMBL20139283 0.89 MTOR (0.63) MTORRPTORMLST8HTR7ALDH1A1
SCHEMBL20139236 0.88 MTOR (0.68) MTORRPTORMLST8HTR7ALDH1A1
SCHEMBL20159019 0.86 MTOR (0.59) 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 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