SCHEMBL20142049

SCHEMBL20142049

Cc1c(CN2CCN(c3ncccc3Cl)CC2)cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)n1C

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 4/20 0.71
RPTOR Q8N122 4/20 0.71
MLST8 Q9BVC4 4/20 0.71
LMNA P02545 3/20 0.50
KDM4E B2RXH2 2/20 0.50
MAPT P10636 2/20 0.50
HTT P42858 2/20 0.50
HSP90AA1 P07900 1/20 0.50
RAB9A P51151 1/20 0.50
KMT2A Q03164 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
ALDH1A1 P00352 1/20 0.44
GFER P55789 1/20 0.44
HTR1A P08908 1/20 0.43
HTR2A P28223 1/20 0.43
HTR7 P34969 1/20 0.43
AVPR1A P37288 1/20 0.42
OPRM1 P35372 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
SCHEMBL20140306 0.92 MTOR (0.74) MTORRPTORMLST8LMNAKDM4E
SCHEMBL20140826 0.89 MTOR (0.67) MTORRPTORMLST8LMNAKDM4E
SCHEMBL20140502 0.87 MTOR (0.57) MTORRPTORMLST8LMNAKDM4E
SCHEMBL20140499 0.87 MTOR (0.57) MTORRPTORMLST8LMNAKDM4E
SCHEMBL20140500 0.87 MTOR (0.67) MTORRPTORMLST8KDM4EMAPT
SCHEMBL20159231 0.86 MTOR (0.68) MTORRPTORMLST8LMNAKDM4E
SCHEMBL20141008 0.85 MTOR (0.72) MTORRPTORMLST8KDM4EKMT2A
SCHEMBL20140534 0.83 MTOR (0.63) MTORRPTORMLST8MAPTHTT
SCHEMBL20159289 0.83 MTOR (0.63) MTORRPTORMLST8MAPTHTT
SCHEMBL20141800 0.83 MTOR (0.64) MTORRPTORMLST8AVPR1A

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