SCHEMBL20139283

SCHEMBL20139283

Cc1c(CN2CCN(c3ccccc3Cl)CC2)cc(C(=O)N2CCN(c3ccc(F)c(Cl)c3)CC2)n1C

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTOR P42345 5/20 0.63
RPTOR Q8N122 5/20 0.63
MLST8 Q9BVC4 5/20 0.63
HTR7 P34969 1/20 0.44
KMT2A Q03164 3/20 0.43
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 2/20 0.43
LMNA P02545 1/20 0.43
PLA2G1B P04054 1/20 0.43
RAB9A P51151 1/20 0.43
ATG4B Q9Y4P1 1/20 0.43
CACNA1G O43497 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 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
SCHEMBL20141905 0.94 MTOR (0.63) MTORRPTORMLST8HTR7KMT2A
SCHEMBL20140500 0.91 MTOR (0.67) MTORRPTORMLST8HTR7KDM4E
SCHEMBL20139877 0.90 MTOR (0.64) MTORRPTORMLST8HTR7KMT2A
SCHEMBL20141504 0.90 MTOR (0.67) MTORRPTORMLST8HTR7ALDH1A1
SCHEMBL20139236 0.90 MTOR (0.68) MTORRPTORMLST8HTR7KMT2A
SCHEMBL20159067 0.89 MTOR (0.65) MTORRPTORMLST8HTR7KMT2A
SCHEMBL20140543 0.89 MTOR (0.65) MTORRPTORMLST8HTR7KMT2A
SCHEMBL20140555 0.89 MTOR (0.78) MTORRPTORMLST8HTR7KMT2A
SCHEMBL20140534 0.88 MTOR (0.63) MTORRPTORMLST8HTR7MAPT
SCHEMBL20159289 0.88 MTOR (0.63) MTORRPTORMLST8HTR7MAPT

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