SCHEMBL20141378

SCHEMBL20141378

Cc1c(CN2CCN(c3ccccc3C#N)CC2)cc(C(=O)N2CCCN(c3ccc(F)cc3)CC2)n1C

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 7/20 0.69
RPTOR Q8N122 7/20 0.69
MLST8 Q9BVC4 7/20 0.69
HTR7 P34969 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.42
USP2 O75604 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
DPP4 P27487 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
HTR2A P28223 1/20 0.40
DRD3 P35462 1/20 0.40

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
SCHEMBL20158988 0.97 MTOR (0.73) MTORRPTORMLST8HTR7L3MBTL1
SCHEMBL20158992 0.90 MTOR (0.84) MTORRPTORMLST8HTR7MEN1
SCHEMBL20140534 0.89 MTOR (0.63) MTORRPTORMLST8HTR7L3MBTL1
SCHEMBL20158995 0.89 MTOR (0.74) MTORRPTORMLST8HTR7KDM4E
SCHEMBL20159082 0.89 MTOR (0.75) MTORRPTORMLST8HTR7KDM4E
SCHEMBL20141020 0.88 MTOR (0.68) MTORRPTORMLST8HTR7KDM4E
SCHEMBL20159289 0.87 MTOR (0.63) MTORRPTORMLST8HTR7L3MBTL1
SCHEMBL20159217 0.85 MTOR (0.74) MTORRPTORMLST8HTR7DPP4
SCHEMBL20140500 0.85 MTOR (0.67) MTORRPTORMLST8HTR7L3MBTL1
SCHEMBL20159153 0.84 MTOR (0.61) MTORRPTORMLST8DRD2DRD3

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