SCHEMBL20140071

SCHEMBL20140071

Cc1c(CN2CCN(c3ccccc3Cl)CC2)cc(C(=O)N2CCN(c3cccc(F)c3C#N)CC2)n1C

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 6/20 0.78
RPTOR Q8N122 6/20 0.78
MLST8 Q9BVC4 6/20 0.78
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 2/20 0.43
LMNA P02545 2/20 0.43
KMT2A Q03164 2/20 0.43
HTR7 P34969 1/20 0.42
HSD17B10 Q99714 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CACNA1G O43497 1/20 0.41
PLA2G1B P04054 1/20 0.41
RAB9A P51151 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41
DRD2 P14416 1/20 0.41
HTR2A P28223 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
SCHEMBL20139537 0.88 MTOR (1.00) MTORRPTORMLST8
SCHEMBL20139536 0.88 MTOR (1.00) MTORRPTORMLST8
SCHEMBL20159216 0.88 MTOR (0.81) MTORRPTORMLST8ALDH1A1KDM4E
SCHEMBL20159090 0.87 MTOR (0.71) MTORRPTORMLST8ALDH1A1KDM4E
SCHEMBL20141504 0.86 MTOR (0.67) MTORRPTORMLST8ALDH1A1HTR7
SCHEMBL20159093 0.85 MTOR (0.68) MTORRPTORMLST8ALDH1A1KDM4E
SCHEMBL20158919 0.84 MTOR (0.72) MTORRPTORMLST8ALDH1A1HTR7
SCHEMBL20139877 0.84 MTOR (0.64) MTORRPTORMLST8ALDH1A1KDM4E
SCHEMBL20139283 0.83 MTOR (0.63) MTORRPTORMLST8ALDH1A1KDM4E
SCHEMBL20159067 0.83 MTOR (0.65) MTORRPTORMLST8ALDH1A1KDM4E

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