SCHEMBL20141544

SCHEMBL20141544

Cc1cc(C)c(N2C3CCC2CN(c2ccccc2C#N)C3)cc1CN1C2CCC1CN(c1ccccc1C#N)C2

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTOR P42345 1/20 0.48
RPTOR Q8N122 1/20 0.48
MLST8 Q9BVC4 1/20 0.48
GRM2 Q14416 1/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
BRD4 O60885 1/20 0.35
TRPA1 O75762 1/20 0.35
RET P07949 1/20 0.35
KDM4E B2RXH2 1/20 0.34
C5AR1 P21730 2/20 0.34
HTR7 P34969 1/20 0.34
TMEM97 Q5BJF2 1/20 0.34
AR P10275 2/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 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
SCHEMBL20141742 0.84 MTOR (0.47) MTORRPTORMLST8JAK2JAK1
SCHEMBL20156791 0.81 MTOR (0.52) MTORRPTORMLST8GRM2JAK2
SCHEMBL20139980 0.75 MTOR (0.46) MTORRPTORMLST8BRD4RET
SCHEMBL20156834 0.74 MTOR (0.54) MTORRPTORMLST8JAK2JAK1
SCHEMBL20157463 0.71 GRM1 (0.41) MTORRPTORMLST8GRM2BRD4
SCHEMBL20140731 0.70 DRD4 (0.54) MTORRPTORMLST8KDM4EHTR7
SCHEMBL19013673 0.69 BRD4 (0.44) MTORRPTORMLST8JAK2JAK1
SCHEMBL20157462 0.69 KDM4E (0.40) MTORRPTORMLST8BRD4KDM4E
SCHEMBL20156863 0.69 DRD4 (0.53) MTORRPTORMLST8KDM4EHTR7
SCHEMBL1843465 0.64 ALDH1A1 (0.51) BRD4C5AR1

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