SCHEMBL20140663

SCHEMBL20140663

N#Cc1ccccc1N1CCN(C(=O)c2cc(C=O)c(F)cc2F)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.51
TSHR P16473 2/20 0.51
DPP4 P27487 1/20 0.50
PARP1 P09874 1/20 0.49
MTOR P42345 3/20 0.46
RPTOR Q8N122 3/20 0.46
MLST8 Q9BVC4 3/20 0.46
GRM5 P41594 1/20 0.46
TACR3 P29371 1/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPK1 P28482 1/20 0.45
KMT2A Q03164 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HSD17B10 Q99714 1/20 0.45
NAMPT P43490 1/20 0.45
USP2 O75604 1/20 0.45
KDM4E B2RXH2 1/20 0.44
ALOX15 P16050 1/20 0.44
CYP1A2 P05177 1/20 0.44

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
SCHEMBL20140694 0.90 MTOR (0.50) SMN1; SMN2TSHRDPP4PARP1MTOR
SCHEMBL20140299 0.84 KDM4E (0.56) PARP1ALDH1A1KDM4ECFTR
SCHEMBL20139868 0.83 MTOR (0.52) SMN1; SMN2TSHRMTORRPTORMLST8
SCHEMBL20139960 0.81 MTOR (0.56) SMN1; SMN2TSHRDPP4PARP1MTOR
SCHEMBL20157177 0.77 DPP4 (0.48) TSHRDPP4MTORRPTORMLST8
SCHEMBL20141188 0.77 MTOR (0.56) SMN1; SMN2TSHRDPP4PARP1MTOR
SCHEMBL20140642 0.77 MTOR (0.51) SMN1; SMN2TSHRDPP4PARP1MTOR
SCHEMBL20140808 0.74 MTOR (0.44) SMN1; SMN2TSHRMTORRPTORMLST8
SCHEMBL20141464 0.74 MTOR (0.56) SMN1; SMN2TSHRMTORRPTORMLST8
SCHEMBL20139883 0.74 MTOR (0.54) DPP4PARP1MTORRPTORMLST8

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