SCHEMBL20140306

SCHEMBL20140306

Cc1c(CN2CCN(c3ncccc3Cl)CC2)cc(C(=O)N2CCN(c3ccc(F)c(F)c3)CC2)n1C

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTOR P42345 6/20 0.74
RPTOR Q8N122 6/20 0.74
MLST8 Q9BVC4 6/20 0.74
AVPR1A P37288 1/20 0.43
TRPA1 O75762 2/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
HSP90AA1 P07900 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
RBP4 P02753 1/20 0.40
CHRM4 P08173 1/20 0.40
MALT1 Q9UDY8 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
SCHEMBL20142049 0.92 MTOR (0.71) MTORRPTORMLST8AVPR1AKDM4E
SCHEMBL20140826 0.91 MTOR (0.67) MTORRPTORMLST8AVPR1ATRPA1
SCHEMBL20142006 0.87 MTOR (0.60) MTORRPTORMLST8CHRM4MALT1
SCHEMBL20142009 0.87 MTOR (0.60) MTORRPTORMLST8CHRM4MALT1
SCHEMBL20141905 0.87 MTOR (0.63) MTORRPTORMLST8KDM4ELMNA
SCHEMBL20141008 0.85 MTOR (0.72) MTORRPTORMLST8AVPR1ATRPA1
SCHEMBL20159218 0.85 MTOR (1.00) MTORRPTORMLST8AVPR1AKDM4E
SCHEMBL20159231 0.84 MTOR (0.68) MTORRPTORMLST8KDM4ELMNA
SCHEMBL20159270 0.82 MTOR (0.57) MTORRPTORMLST8AVPR1ATRPA1
SCHEMBL20141800 0.82 MTOR (0.64) MTORRPTORMLST8AVPR1ATRPA1

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