SCHEMBL20159229

SCHEMBL20159229

Cc1cccc(N2CCN(C(=O)c3cc(CN4CCN(c5ccccc5Cl)CC4)c(C#N)n3C)CC2)n1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 6/20 0.74
RPTOR Q8N122 6/20 0.74
MLST8 Q9BVC4 6/20 0.74
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPK1 P28482 2/20 0.44
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
ALDH1A1 P00352 3/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
PKM P14618 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HTR7 P34969 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
HTR2A P28223 2/20 0.39
DRD2 P14416 1/20 0.39
KDM4E B2RXH2 1/20 0.39
PLA2G1B P04054 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
SCHEMBL20159226 0.88 MTOR (0.71) MTORRPTORMLST8MEN1KMT2A
SCHEMBL20159155 0.86 MTOR (0.65) MTORRPTORMLST8NPC1ALDH1A1
SCHEMBL20158895 0.85 MTOR (1.00) MTORRPTORMLST8MEN1KMT2A
SCHEMBL20159090 0.80 MTOR (0.71) MTORRPTORMLST8RAB9AALDH1A1
SCHEMBL20141569 0.79 RAB9A (0.46) MTORRPTORMLST8MEN1KMT2A
SCHEMBL20158993 0.79 MTOR (0.64) MTORRPTORMLST8MEN1KMT2A
SCHEMBL20159230 0.78 MTOR (0.65) MTORRPTORMLST8ALDH1A1LMNA
SCHEMBL20159227 0.77 MTOR (1.00) MTORRPTORMLST8MEN1KMT2A
SCHEMBL20140071 0.77 MTOR (0.78) MTORRPTORMLST8MEN1KMT2A
SCHEMBL20158919 0.77 MTOR (0.72) MTORRPTORMLST8ALDH1A1HTR7

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