SCHEMBL20139984

SCHEMBL20139984

CCOC(=O)c1nc(CN2CCN(c3ccccc3C#N)CC2)c(C)nc1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 7/20 0.46
DRD2 P14416 3/20 0.46
DRD3 P35462 2/20 0.46
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 3/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
HTR2A P28223 1/20 0.44
THPO P40225 1/20 0.44
HIF1A Q16665 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PRMT1 Q99873 1/20 0.42
HTR7 P34969 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
SCHEMBL20140768 0.87 DRD4 (0.50) DRD4DRD2DRD3KDM4EALDH1A1
SCHEMBL20140551 0.85 MTOR (0.52) DRD4DRD2DRD3KDM4EALDH1A1
SCHEMBL20140723 0.82 P2RY12 (0.49) DRD3KDM4EALDH1A1CYP3A4L3MBTL1
SCHEMBL20139948 0.79 DRD4 (0.48) DRD4DRD2DRD3KDM4EALDH1A1
SCHEMBL20140750 0.77 DRD4 (0.48) DRD4DRD2DRD3KDM4EALDH1A1
SCHEMBL20140616 0.76 DRD4 (0.45) DRD4DRD2DRD3KDM4EALDH1A1
SCHEMBL20141552 0.76 DRD4 (0.47) DRD4DRD2DRD3KDM4EALDH1A1
SCHEMBL20140738 0.76 MTOR (0.54) DRD4DRD2DRD3KDM4EALDH1A1
SCHEMBL20139999 0.73 DRD4 (0.48) DRD4DRD2DRD3KDM4EALDH1A1
SCHEMBL20140641 0.73 MTOR (0.54) DRD4DRD2DRD3KDM4EALDH1A1

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