SCHEMBL20156948

SCHEMBL20156948

Cc1cc(C)c(C(=O)N2CCN(c3ccc4cc[nH]c4c3)CC2)cc1CN1CCN(c2ccccc2C#N)CC1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTOR P42345 6/20 0.51
RPTOR Q8N122 6/20 0.51
MLST8 Q9BVC4 6/20 0.51
MAPK14 Q16539 3/20 0.45
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TACR3 P29371 1/20 0.41
DRD4 P21917 3/20 0.40
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
HTR7 P34969 1/20 0.39
PARP1 P09874 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
SCHEMBL20156830 0.95 MTOR (0.51) MTORRPTORMLST8MAPK14TACR3
SCHEMBL20156947 0.88 MTOR (0.45) MTORRPTORMLST8
SCHEMBL20140200 0.87 MTOR (0.59) MTORRPTORMLST8KDM4EALDH1A1
SCHEMBL20156943 0.87 GAA (0.49) MTORRPTORMLST8MAPK14MAPT
SCHEMBL20156813 0.86 MTOR (0.47) MTORRPTORMLST8MAPK14KDM4E
SCHEMBL20140235 0.86 MTOR (0.67) MTORRPTORMLST8KDM4EALDH1A1
SCHEMBL20140824 0.86 MTOR (0.67) MTORRPTORMLST8KDM4EALDH1A1
Trifluoroacetic Acid SCHEMBL20141710 0.84 MTOR (0.43) MTORRPTORMLST8
SCHEMBL20156918 0.84 MTOR (0.55) MTORRPTORMLST8KDM4EALDH1A1
SCHEMBL20139962 0.84 MTOR (0.55) MTORRPTORMLST8KDM4EALDH1A1

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