SCHEMBL20141285

SCHEMBL20141285

COC(=O)c1cc(-c2nnc3n2CCN(c2ccccc2C#N)C3)c(C)cc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.40
KMT2A Q03164 1/20 0.40
DRD4 P21917 6/20 0.39
DRD3 P35462 4/20 0.39
DRD2 P14416 4/20 0.39
ALDH1A1 P00352 4/20 0.38
P2RX7 Q99572 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
HTR2A P28223 1/20 0.38
THPO P40225 1/20 0.38
HIF1A Q16665 1/20 0.38
MTOR P42345 2/20 0.36
RPTOR Q8N122 2/20 0.36
MLST8 Q9BVC4 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HPGD P15428 1/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36

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
SCHEMBL20156967 0.93 KDM4E (0.35) KDM4EKMT2ADRD4DRD3DRD2
SCHEMBL20140571 0.89 DRD4 (0.39) KDM4EDRD4DRD3DRD2ALDH1A1
SCHEMBL20156864 0.80 MTOR (0.47) KMT2AALDH1A1P2RX7MTORRPTOR
SCHEMBL20140384 0.77 MALT1 (0.41) P2RX7
SCHEMBL20140506 0.77 CHRM2 (0.43) KMT2AP2RX7MTORRPTORMLST8
SCHEMBL20140508 0.77 CHRM2 (0.43) KMT2AP2RX7MTORRPTORMLST8
SCHEMBL20140513 0.74 DRD4 (0.41) KDM4EKMT2ADRD4DRD3DRD2
SCHEMBL20157267 0.73 DRD4 (0.52) KDM4EDRD4DRD3DRD2ALDH1A1
SCHEMBL20157237 0.73 DRD4 (0.44) KDM4EKMT2ADRD4DRD3DRD2
SCHEMBL20139958 0.72 NAMPT (0.53) KDM4EKMT2ADRD4DRD3DRD2

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