SCHEMBL20156967

SCHEMBL20156967

COC(=O)c1cc(-c2nnc3n2CCN(c2cc(OC(=O)c4cc(-c5nnc6n5CCN(c5ccccc5C#N)C6)c(C)cc4C)ccc2C#N)C3)c(C)cc1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.35
KMT2A Q03164 1/20 0.35
DRD4 P21917 4/20 0.35
DRD3 P35462 3/20 0.35
DRD2 P14416 2/20 0.35
ALDH1A1 P00352 3/20 0.34
P2RX7 Q99572 1/20 0.34
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34
CLK1 P49759 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2D6 P10635 2/20 0.33
HTR2A P28223 1/20 0.33
THPO P40225 1/20 0.33
HIF1A Q16665 1/20 0.33
MTOR P42345 2/20 0.33
RPTOR Q8N122 2/20 0.33

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
SCHEMBL20141285 0.93 KDM4E (0.40) KDM4EKMT2ADRD4DRD3DRD2
SCHEMBL20140571 0.83 DRD4 (0.39) KDM4EDRD4DRD3DRD2ALDH1A1
SCHEMBL20156864 0.74 MTOR (0.47) KMT2AALDH1A1P2RX7HTTSMN1; SMN2
SCHEMBL20140384 0.71 MALT1 (0.41) P2RX7
SCHEMBL20140506 0.71 CHRM2 (0.43) KMT2AP2RX7MTORRPTORMLST8
SCHEMBL20140508 0.71 CHRM2 (0.43) KMT2AP2RX7MTORRPTORMLST8
SCHEMBL20140513 0.68 DRD4 (0.41) KDM4EKMT2ADRD4DRD3DRD2
SCHEMBL20157267 0.68 DRD4 (0.52) KDM4EDRD4DRD3DRD2ALDH1A1
SCHEMBL22187910 0.67 MTOR (0.45) KDM4EDRD4DRD3ALDH1A1MTOR
SCHEMBL20157237 0.67 DRD4 (0.44) 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