SCHEMBL20140534

SCHEMBL20140534

Cc1c(CN2CCN(c3ccccc3Cl)CC2)cc(C(=O)N2CCCN(c3ccc(F)cc3)CC2)n1C

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTOR P42345 5/20 0.63
RPTOR Q8N122 5/20 0.63
MLST8 Q9BVC4 5/20 0.63
L3MBTL1 Q9Y468 1/20 0.44
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
HTT P42858 1/20 0.43
HTR7 P34969 1/20 0.43
USP2 O75604 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL20159289 0.98 MTOR (0.63) MTORRPTORMLST8L3MBTL1TP53
SCHEMBL20140500 0.96 MTOR (0.67) MTORRPTORMLST8L3MBTL1TP53
SCHEMBL20140543 0.89 MTOR (0.65) MTORRPTORMLST8L3MBTL1HTR7
SCHEMBL20140555 0.89 MTOR (0.78) MTORRPTORMLST8HTTHTR7
SCHEMBL20141378 0.89 MTOR (0.69) MTORRPTORMLST8L3MBTL1HTR7
SCHEMBL20159067 0.88 MTOR (0.65) MTORRPTORMLST8HTTHTR7
SCHEMBL20141905 0.88 MTOR (0.63) MTORRPTORMLST8MAPTHTR7
SCHEMBL20139283 0.88 MTOR (0.63) MTORRPTORMLST8MAPTHTR7
SCHEMBL20139877 0.86 MTOR (0.64) MTORRPTORMLST8HTR7
SCHEMBL20140654 0.85 MTOR (0.68) MTORRPTORMLST8HTR7

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