SCHEMBL20140347

SCHEMBL20140347

Cc1cc(C)c(CN2CCN(c3ccccc3C#N)CC2)nc1Br

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 9/20 0.50
DRD2 P14416 5/20 0.46
DRD3 P35462 4/20 0.46
HTR7 P34969 2/20 0.43
PHGDH O43175 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
HTR2A P28223 1/20 0.43
THPO P40225 1/20 0.43
HIF1A Q16665 1/20 0.43
POLB P06746 1/20 0.42
HTR1A P08908 1/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
MTOR P42345 1/20 0.41
RPTOR Q8N122 1/20 0.41

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
SCHEMBL20140750 0.82 DRD4 (0.48) DRD4DRD2DRD3PHGDHKDM4E
SCHEMBL20140738 0.81 MTOR (0.54) DRD4DRD2DRD3PHGDHKDM4E
SCHEMBL20139948 0.80 DRD4 (0.48) DRD4DRD2DRD3HTR7PHGDH
SCHEMBL20140731 0.79 DRD4 (0.54) DRD4DRD2DRD3HTR7KDM4E
SCHEMBL20156863 0.78 DRD4 (0.53) DRD4DRD2DRD3HTR7KDM4E
SCHEMBL20157125 0.74 MTOR (0.48) DRD4DRD2DRD3PHGDHKDM4E
SCHEMBL20140795 0.74 MTOR (0.58) DRD4DRD2HTR7KDM4EALDH1A1
SCHEMBL20157127 0.73 MTOR (0.49) DRD4DRD2DRD3PHGDHKDM4E
SCHEMBL20140576 0.73 MTOR (0.48) DRD4DRD2DRD3PHGDHKDM4E
SCHEMBL20141037 0.73 MTOR (0.55) DRD4PHGDHKDM4EALDH1A1MTOR

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