SCHEMBL20157060

SCHEMBL20157060

Cc1ccc(C(=O)N2CCN(C(=N)c3ccccc3)C(=N)C2)c(C)c1CN1CCN(c2ccccc2C#N)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 8/20 0.43
DRD2 P14416 5/20 0.43
MTOR P42345 3/20 0.42
RPTOR Q8N122 3/20 0.42
MLST8 Q9BVC4 3/20 0.42
DRD3 P35462 4/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
HTR2A P28223 1/20 0.41
THPO P40225 1/20 0.41
HIF1A Q16665 1/20 0.41
GMNN O75496 1/20 0.40
LMNA P02545 1/20 0.40
THRB P10828 1/20 0.40
PMP22 Q01453 1/20 0.40
AR P10275 1/20 0.38
NAMPT P43490 1/20 0.37

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
SCHEMBL20157059 0.80 DRD4 (0.50) DRD4DRD2MTORRPTORMLST8
SCHEMBL20141581 0.79 P2RX7 (0.48) DRD4DRD2MTORRPTORMLST8
SCHEMBL20140606 0.77 MTOR (0.44) DRD4DRD2MTORRPTORMLST8
SCHEMBL20140044 0.71 MTOR (0.54) DRD4DRD2MTORRPTORMLST8
SCHEMBL20141863 0.70 MTOR (0.53) DRD4DRD2MTORRPTORMLST8
SCHEMBL20139982 0.70 MTOR (0.50) DRD4DRD2MTORRPTORMLST8
SCHEMBL20140200 0.69 MTOR (0.59) DRD4DRD2MTORRPTORMLST8
SCHEMBL20140739 0.69 PARP1 (0.51) DRD4DRD2MTORRPTORMLST8
SCHEMBL20156941 0.68 MTOR (0.43) DRD4DRD2MTORRPTORMLST8
SCHEMBL20140833 0.68 MTOR (0.51) DRD4DRD2MTORRPTORMLST8

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