SCHEMBL20141008

SCHEMBL20141008

Cc1c(CN2CCN(c3ncccc3Cl)CC2)cc(C(=O)N2CCN(c3cccc(C#N)c3)CC2)n1C

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTOR P42345 6/20 0.72
RPTOR Q8N122 6/20 0.72
MLST8 Q9BVC4 6/20 0.72
FNTA P49354 1/20 0.44
FNTB P49356 1/20 0.44
ALDH1A1 P00352 2/20 0.44
DRD2 P14416 2/20 0.43
DRD3 P35462 1/20 0.42
AOC3 Q16853 1/20 0.42
CHRM4 P08173 2/20 0.41
KDM4E B2RXH2 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TRPA1 O75762 1/20 0.40
DHFR P00374 1/20 0.40
AVPR1A P37288 1/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 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
SCHEMBL20140826 0.91 MTOR (0.67) MTORRPTORMLST8ALDH1A1KDM4E
SCHEMBL20158919 0.88 MTOR (0.72) MTORRPTORMLST8FNTAFNTB
SCHEMBL20140252 0.88 MTOR (0.60) MTORRPTORMLST8DRD2AOC3
SCHEMBL20140249 0.88 MTOR (0.60) MTORRPTORMLST8DRD2AOC3
SCHEMBL20139510 0.85 MTOR (0.68) MTORRPTORMLST8FNTAFNTB
SCHEMBL20159146 0.85 MTOR (0.68) MTORRPTORMLST8FNTAFNTB
SCHEMBL20140306 0.85 MTOR (0.74) MTORRPTORMLST8CHRM4KDM4E
SCHEMBL20142049 0.85 MTOR (0.71) MTORRPTORMLST8ALDH1A1KDM4E
SCHEMBL20159218 0.83 MTOR (1.00) MTORRPTORMLST8ALDH1A1DRD2
SCHEMBL20159231 0.83 MTOR (0.68) MTORRPTORMLST8ALDH1A1DRD2

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