SCHEMBL20140500

SCHEMBL20140500

Cc1c(CN2CCN(c3ccccc3Cl)CC2)cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)n1C

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTOR P42345 5/20 0.67
RPTOR Q8N122 5/20 0.67
MLST8 Q9BVC4 5/20 0.67
L3MBTL1 Q9Y468 2/20 0.47
USP2 O75604 1/20 0.46
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TP53 P04637 2/20 0.46
MAPT P10636 2/20 0.46
HTT P42858 1/20 0.45
HTR7 P34969 1/20 0.45
PTGS1 P23219 1/20 0.45
PTGS2 P35354 1/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
PLA2G1B P04054 1/20 0.45
RAB9A P51151 1/20 0.45
ATG4B Q9Y4P1 1/20 0.45

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 0.96 MTOR (0.63) MTORRPTORMLST8L3MBTL1USP2
SCHEMBL20140534 0.96 MTOR (0.63) MTORRPTORMLST8L3MBTL1USP2
SCHEMBL20140543 0.93 MTOR (0.65) MTORRPTORMLST8L3MBTL1SMN1; SMN2
SCHEMBL20140555 0.92 MTOR (0.78) MTORRPTORMLST8HTTHTR7
SCHEMBL20159067 0.91 MTOR (0.65) MTORRPTORMLST8SMN1; SMN2HTT
SCHEMBL20141905 0.91 MTOR (0.63) MTORRPTORMLST8MAPTHTR7
SCHEMBL20139283 0.91 MTOR (0.63) MTORRPTORMLST8MAPTHTR7
SCHEMBL20139877 0.90 MTOR (0.64) MTORRPTORMLST8HTR7KDM4E
SCHEMBL20158988 0.88 MTOR (0.73) MTORRPTORMLST8L3MBTL1USP2
SCHEMBL20139236 0.88 MTOR (0.68) MTORRPTORMLST8MAPK1SMN1; SMN2

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