SCHEMBL20159282

SCHEMBL20159282

Cc1c(C(C)N2CCN(c3ccccc3Cl)CC2)cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)n1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 1/20 0.48
RPTOR Q8N122 1/20 0.48
MLST8 Q9BVC4 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.45
MAPK1 P28482 2/20 0.45
USP2 O75604 1/20 0.45
HTT P42858 2/20 0.43
TSHR P16473 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 2/20 0.43
TP53 P04637 1/20 0.43
HSP90AA1 P07900 1/20 0.43
GAA P10253 1/20 0.42
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
SLC6A7 Q99884 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
SCHEMBL20158920 0.86 MTOR (0.51) MTORRPTORMLST8SMN1; SMN2MAPT
SCHEMBL20159285 0.86 MTOR (0.51) MTORRPTORMLST8SMN1; SMN2MAPT
SCHEMBL20140500 0.80 MTOR (0.67) MTORRPTORMLST8SMN1; SMN2MAPK1
SCHEMBL20159289 0.78 MTOR (0.63) MTORRPTORMLST8SMN1; SMN2MAPK1
SCHEMBL20140534 0.78 MTOR (0.63) MTORRPTORMLST8SMN1; SMN2MAPK1
SCHEMBL20139786 0.75 MTOR (0.51) MTORRPTORMLST8SMN1; SMN2MEN1
SCHEMBL20159115 0.73 MTOR (0.55) MTORRPTORMLST8SMN1; SMN2MAPK1
SCHEMBL20140543 0.73 MTOR (0.65) MTORRPTORMLST8SMN1; SMN2MEN1
SCHEMBL20140555 0.72 MTOR (0.78) MTORRPTORMLST8HTTMEN1
SCHEMBL20139283 0.72 MTOR (0.63) MTORRPTORMLST8MEN1KMT2A

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-2018089493-A1 PYRROLE mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed