SCHEMBL20159226

SCHEMBL20159226

Cc1nc(N2CCN(C(=O)c3cc(CN4CCN(c5ccccc5Cl)CC4)c(C#N)n3C)CC2)ccc1F

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTOR P42345 6/20 0.71
RPTOR Q8N122 6/20 0.71
MLST8 Q9BVC4 6/20 0.71
ALDH1A1 P00352 4/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
LMNA P02545 2/20 0.40
GAA P10253 2/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HTR7 P34969 1/20 0.39
DRD2 P14416 2/20 0.39
DRD3 P35462 2/20 0.39
KDM4E B2RXH2 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
TP53 P04637 1/20 0.38
DRD4 P21917 1/20 0.38

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
SCHEMBL20159229 0.88 MTOR (0.74) MTORRPTORMLST8ALDH1A1MEN1
SCHEMBL20158895 0.83 MTOR (1.00) MTORRPTORMLST8ALDH1A1MEN1
SCHEMBL20140071 0.79 MTOR (0.78) MTORRPTORMLST8ALDH1A1MEN1
SCHEMBL20159216 0.79 MTOR (0.81) MTORRPTORMLST8ALDH1A1MEN1
SCHEMBL20141504 0.78 MTOR (0.67) MTORRPTORMLST8ALDH1A1HTR7
SCHEMBL20159090 0.78 MTOR (0.71) MTORRPTORMLST8ALDH1A1HTR7
SCHEMBL20159112 0.77 MTOR (0.58) MTORRPTORMLST8ALDH1A1MAPT
SCHEMBL20140865 0.77 MTOR (0.48) MTORRPTORMLST8ALDH1A1LMNA
SCHEMBL20158993 0.77 MTOR (0.64) MTORRPTORMLST8ALDH1A1MEN1
SCHEMBL20159093 0.77 MTOR (0.68) MTORRPTORMLST8ALDH1A1GAA

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