SCHEMBL20140697

SCHEMBL20140697

COc1ccc(N2CCN(C(=O)c3cc(CN4CCN(c5ccccc5C#N)CC4)ccc3C)CC2)nc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.49
RET P07949 10/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
GAA P10253 1/20 0.47
HTT P42858 1/20 0.47
CLK1 P49759 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PRKAA2 P54646 2/20 0.46
NPSR1 Q6W5P4 1/20 0.43
MTOR P42345 1/20 0.43
RPTOR Q8N122 1/20 0.43
MLST8 Q9BVC4 1/20 0.43
BCHE P06276 1/20 0.42

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
SCHEMBL20156887 0.90 PPARG (0.46) PPARARETKDM4EALDH1A1HTT
SCHEMBL20140585 0.89 PPARG (0.47) PPARARETMTORRPTORMLST8
SCHEMBL20139934 0.89 PPARG (0.47) RETKDM4EALDH1A1HTTPRKAA2
SCHEMBL20140044 0.86 MTOR (0.54) KDM4EALDH1A1HTTNPSR1MTOR
SCHEMBL20141182 0.82 PARP1 (0.48) KDM4EALDH1A1GAAHTTCLK1
SCHEMBL20156931 0.82 MTOR (0.51) KDM4EALDH1A1GAASMN1; SMN2L3MBTL1
SCHEMBL20156930 0.82 MTOR (0.46) KDM4EALDH1A1NPSR1MTORRPTOR
SCHEMBL20140785 0.82 PARP1 (0.47) KDM4EALDH1A1HTTNPSR1MTOR
SCHEMBL20140600 0.82 KDM4E (0.54) KDM4EALDH1A1MTORRPTORMLST8
SCHEMBL20157329 0.81 PPARA (0.49) PPARAKDM4EALDH1A1L3MBTL1PRKAA2

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