SCHEMBL20158993

SCHEMBL20158993

Cc1c(CN2CCN(c3ccccc3Cl)CC2)cc(C(=O)N2CCN(c3cc(C#N)ccn3)CC2)n1C

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 6/20 0.64
RPTOR Q8N122 6/20 0.64
MLST8 Q9BVC4 6/20 0.64
ALDH1A1 P00352 2/20 0.47
DRD2 P14416 4/20 0.45
DRD4 P21917 3/20 0.45
DRD3 P35462 3/20 0.45
PANK3 Q9H999 1/20 0.43
CHRM4 P08173 1/20 0.43
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
HTR7 P34969 1/20 0.40
HTR2A P28223 1/20 0.40
MALT1 Q9UDY8 1/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 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
SCHEMBL20159156 0.93 MTOR (0.64) MTORRPTORMLST8ALDH1A1DRD2
SCHEMBL20159110 0.89 MTOR (0.57) MTORRPTORMLST8ALDH1A1DRD2
SCHEMBL20159158 0.87 MTOR (0.63) MTORRPTORMLST8DRD2DRD4
SCHEMBL20158919 0.86 MTOR (0.72) MTORRPTORMLST8ALDH1A1DRD2
SCHEMBL20159090 0.85 MTOR (0.71) MTORRPTORMLST8ALDH1A1DRD2
SCHEMBL20159152 0.85 MTOR (0.65) MTORRPTORMLST8ALDH1A1DRD2
SCHEMBL20159267 0.85 MTOR (0.56) MTORRPTORMLST8ALDH1A1DRD2
SCHEMBL20159030 0.83 MTOR (0.62) MTORRPTORMLST8ALDH1A1DRD2
SCHEMBL20158990 0.83 MTOR (0.77) MTORRPTORMLST8ALDH1A1HTR7
SCHEMBL20159146 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 1 patent. 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