SCHEMBL20141543

SCHEMBL20141543

Cc1cc(C)c(C(=O)N2CCN(c3ccccc3F)CC2)cc1CN1CCN(c2ccccc2C#N)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 6/20 0.54
RPTOR Q8N122 6/20 0.54
MLST8 Q9BVC4 6/20 0.54
SMN1; SMN2 Q16637 3/20 0.51
TSHR P16473 2/20 0.51
PARP1 P09874 1/20 0.49
ALDH1A1 P00352 3/20 0.47
LMNA P02545 2/20 0.47
HTT P42858 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MAPT P10636 2/20 0.46
MEN1 O00255 1/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HSD17B10 Q99714 1/20 0.46
DPP4 P27487 1/20 0.46
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
DRD3 P35462 1/20 0.46

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
SCHEMBL20140200 0.94 MTOR (0.59) MTORRPTORMLST8PARP1ALDH1A1
SCHEMBL20141003 0.93 MTOR (0.54) MTORRPTORMLST8SMN1; SMN2TSHR
SCHEMBL20140926 0.93 MTOR (0.54) MTORRPTORMLST8SMN1; SMN2TSHR
SCHEMBL20141188 0.91 MTOR (0.56) MTORRPTORMLST8SMN1; SMN2TSHR
SCHEMBL20140246 0.91 MTOR (0.57) MTORRPTORMLST8TSHRPARP1
SCHEMBL20140719 0.91 MTOR (0.57) MTORRPTORMLST8TSHRPARP1
SCHEMBL20156918 0.90 MTOR (0.55) MTORRPTORMLST8SMN1; SMN2PARP1
SCHEMBL20139962 0.90 MTOR (0.55) MTORRPTORMLST8ALDH1A1KDM4E
SCHEMBL20140235 0.90 MTOR (0.67) MTORRPTORMLST8TSHRALDH1A1
SCHEMBL20156824 0.90 MTOR (0.56) MTORRPTORMLST8SMN1; SMN2ALDH1A1

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