SCHEMBL20140694

SCHEMBL20140694

Cc1cc(F)c(C(=O)N2CCN(c3ccccc3C#N)CC2)cc1C=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 4/20 0.50
RPTOR Q8N122 4/20 0.50
MLST8 Q9BVC4 4/20 0.50
TSHR P16473 2/20 0.48
LMNA P02545 2/20 0.48
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
PARP1 P09874 1/20 0.47
DPP4 P27487 1/20 0.46
CFTR P13569 1/20 0.44
GRM5 P41594 1/20 0.43
TACR3 P29371 1/20 0.43
NAMPT P43490 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 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
SCHEMBL20139868 0.91 MTOR (0.52) MTORRPTORMLST8TSHRLMNA
SCHEMBL20140663 0.90 SMN1; SMN2 (0.51) MTORRPTORMLST8TSHRLMNA
SCHEMBL20141188 0.82 MTOR (0.56) MTORRPTORMLST8TSHRLMNA
SCHEMBL20140808 0.82 MTOR (0.44) MTORRPTORMLST8TSHRLMNA
SCHEMBL20141464 0.78 MTOR (0.56) MTORRPTORMLST8TSHRLMNA
SCHEMBL20141192 0.78 MTOR (0.49) MTORRPTORMLST8TSHRLMNA
SCHEMBL20139865 0.78 P2RX7 (0.48) MTORRPTORMLST8
SCHEMBL20139960 0.77 MTOR (0.56) MTORRPTORMLST8TSHRLMNA
SCHEMBL20156949 0.77 MTOR (0.54) MTORRPTORMLST8TSHRLMNA
SCHEMBL20140952 0.77 NAMPT (0.54) MTORRPTORMLST8TSHRHTT

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