SCHEMBL20139864

SCHEMBL20139864

Cc1c(CN2CCN(c3ccccc3N=[N+]=[N-])CC2)cc(C(=O)N2CCN(c3ccccc3)CC2)n1C

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTOR P42345 6/20 0.58
RPTOR Q8N122 6/20 0.58
MLST8 Q9BVC4 6/20 0.58
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
DRD2 P14416 1/20 0.41
HTR2A P28223 1/20 0.41
HTR7 P34969 3/20 0.40
MAPT P10636 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 2/20 0.40
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.39
GFER P55789 1/20 0.39

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
SCHEMBL20159014 0.91 MTOR (0.58) MTORRPTORMLST8MEN1KMT2A
SCHEMBL20139243 0.87 MTOR (0.55) MTORRPTORMLST8KMT2AHTR7
SCHEMBL20139244 0.87 MTOR (0.55) MTORRPTORMLST8KMT2AHTR7
SCHEMBL20140555 0.84 MTOR (0.78) MTORRPTORMLST8MEN1KMT2A
SCHEMBL20159141 0.83 MTOR (0.64) MTORRPTORMLST8MEN1KMT2A
SCHEMBL20158992 0.81 MTOR (0.84) MTORRPTORMLST8MEN1KMT2A
SCHEMBL20159096 0.80 MTOR (0.60) MTORRPTORMLST8MEN1KMT2A
SCHEMBL20159001 0.78 MTOR (0.55) MTORRPTORMLST8KMT2AHTR7
SCHEMBL20139236 0.78 MTOR (0.68) MTORRPTORMLST8MEN1KMT2A
SCHEMBL20140500 0.77 MTOR (0.67) 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