SCHEMBL20140723

SCHEMBL20140723

CCOC(=O)c1cc(CN2CCN(c3ccccc3C#N)CC2)c(C)nc1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 7/20 0.49
KDM4E B2RXH2 7/20 0.48
ALDH1A1 P00352 5/20 0.48
L3MBTL1 Q9Y468 4/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
MAPT P10636 1/20 0.48
HSD17B10 Q99714 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
LMNA P02545 1/20 0.48
HPGD P15428 1/20 0.48
GAA P10253 1/20 0.47
MTOR P42345 2/20 0.47
RPTOR Q8N122 2/20 0.47
MLST8 Q9BVC4 2/20 0.47
HTT P42858 1/20 0.45
CHRM2 P08172 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
DRD3 P35462 1/20 0.45

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
SCHEMBL20140641 0.88 MTOR (0.54) KDM4EALDH1A1LMNAMTORRPTOR
SCHEMBL20139973 0.86 MTOR (0.57) KDM4EALDH1A1MEN1KMT2AMTOR
SCHEMBL20139984 0.82 DRD4 (0.46) KDM4EALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL20140146 0.79 KDM4E (0.53) KDM4EALDH1A1TDP1MTORRPTOR
SCHEMBL20140097 0.79 MTOR (0.51) KDM4EALDH1A1LMNAMTORRPTOR
SCHEMBL20140083 0.78 MTOR (0.49) KDM4EALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL20157267 0.77 DRD4 (0.52) KDM4EALDH1A1LMNAMTORRPTOR
SCHEMBL20140388 0.77 MTOR (0.47) MTORRPTORMLST8DRD3
SCHEMBL20156883 0.75 MTOR (0.46) KDM4EALDH1A1MAPTHSD17B10LMNA
SCHEMBL20140126 0.75 MTOR (0.53) KDM4EALDH1A1LMNAMTORRPTOR

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