SCHEMBL20156982

SCHEMBL20156982

N#Cc1ccccc1N1CCN(C(=O)c2cc(CN3CCN(c4ccccc4C(F)(F)F)CC3)c(Cl)cc2F)CC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTOR P42345 5/20 0.48
RPTOR Q8N122 5/20 0.48
MLST8 Q9BVC4 5/20 0.48
ALDH1A1 P00352 3/20 0.44
PARP1 P09874 1/20 0.44
AR P10275 1/20 0.44
MAPT P10636 1/20 0.43
ALOX15 P16050 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
TACR3 P29371 1/20 0.43
DPP4 P27487 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
EPHX2 P34913 1/20 0.42
NPY2R P49146 1/20 0.42
SLC6A9 P48067 1/20 0.42
P2RX7 Q99572 1/20 0.41

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
SCHEMBL20156981 0.85 MTOR (0.58) MTORRPTORMLST8ALDH1A1PARP1
SCHEMBL20139960 0.84 MTOR (0.56) MTORRPTORMLST8ALDH1A1PARP1
SCHEMBL20140631 0.84 MTOR (0.56) MTORRPTORMLST8ALDH1A1PARP1
SCHEMBL20141188 0.82 MTOR (0.56) MTORRPTORMLST8ALDH1A1PARP1
SCHEMBL20140642 0.79 MTOR (0.51) MTORRPTORMLST8ALDH1A1PARP1
SCHEMBL20140541 0.77 MTOR (0.46) MTORRPTORMLST8ALDH1A1PARP1
SCHEMBL20140760 0.77 MTOR (0.53) MTORRPTORMLST8ALDH1A1PARP1
SCHEMBL20139883 0.77 MTOR (0.54) MTORRPTORMLST8ALDH1A1PARP1
SCHEMBL20156824 0.77 MTOR (0.56) MTORRPTORMLST8ALDH1A1TACR3
SCHEMBL20139928 0.77 MTOR (0.56) MTORRPTORMLST8ALDH1A1TACR3

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-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed