SCHEMBL20158895

SCHEMBL20158895

Cn1c(C(=O)N2CCN(c3ccccc3)CC2)cc(CN2CCN(c3ccccc3Cl)CC2)c1C#N

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTOR P42345 5/20 1.00
RPTOR Q8N122 5/20 1.00
MLST8 Q9BVC4 5/20 1.00
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 3/20 0.47
HTR7 P34969 3/20 0.47
POLB P06746 1/20 0.46
KDM4E B2RXH2 2/20 0.46
HTT P42858 1/20 0.46
PLA2G1B P04054 1/20 0.44
RAB9A P51151 1/20 0.44
ATG4B Q9Y4P1 1/20 0.44
DRD2 P14416 3/20 0.43
HTR2A P28223 1/20 0.43
DRD3 P35462 2/20 0.43
CNR1 P21554 1/20 0.43
DRD4 P21917 1/20 0.43

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
SCHEMBL20159227 0.92 MTOR (1.00) MTORRPTORMLST8MEN1KMT2A
SCHEMBL20140555 0.88 MTOR (0.78) MTORRPTORMLST8MEN1KMT2A
SCHEMBL20159229 0.85 MTOR (0.74) MTORRPTORMLST8MEN1KMT2A
SCHEMBL20158919 0.84 MTOR (0.72) MTORRPTORMLST8ALDH1A1HTR7
SCHEMBL20159226 0.83 MTOR (0.71) MTORRPTORMLST8MEN1KMT2A
SCHEMBL20158992 0.83 MTOR (0.84) MTORRPTORMLST8MEN1KMT2A
SCHEMBL20159090 0.83 MTOR (0.71) MTORRPTORMLST8ALDH1A1HTR7
SCHEMBL20139510 0.81 MTOR (0.68) MTORRPTORMLST8ALDH1A1DRD2
SCHEMBL20159146 0.81 MTOR (0.68) MTORRPTORMLST8MEN1KMT2A
SCHEMBL20139236 0.81 MTOR (0.68) MTORRPTORMLST8MEN1KMT2A

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