SCHEMBL20141707

SCHEMBL20141707

Cc1cc(C)c(C(=O)N2CCCN(c3ccc(F)cn3)CC2)cc1CN1CCN(c2ccccc2C#N)CC1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTOR P42345 7/20 0.47
RPTOR Q8N122 7/20 0.47
MLST8 Q9BVC4 7/20 0.47
FASN P49327 3/20 0.42
PPARG P37231 1/20 0.41
OPRM1 P35372 1/20 0.41
OPRK1 P41145 1/20 0.41
KDM4E B2RXH2 1/20 0.41
PARP1 P09874 1/20 0.40
PRKAA2 P54646 1/20 0.40
GRIN2B Q13224 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
SCHEMBL20156964 0.97 MTOR (0.49) MTORRPTORMLST8PPARGKDM4E
SCHEMBL20139962 0.89 MTOR (0.55) MTORRPTORMLST8KDM4EGRIN2B
SCHEMBL20139989 0.87 MTOR (0.49) MTORRPTORMLST8KDM4EPARP1
SCHEMBL20141050 0.87 MTOR (0.46) MTORRPTORMLST8KDM4EPARP1
SCHEMBL20140388 0.87 MTOR (0.47) MTORRPTORMLST8PPARGPARP1
SCHEMBL20156997 0.86 MTOR (0.44) MTORRPTORMLST8FASNPPARG
SCHEMBL20139972 0.86 MTOR (0.48) MTORRPTORMLST8KDM4EPARP1
SCHEMBL20139934 0.86 PPARG (0.47) MTORRPTORMLST8PPARGKDM4E
SCHEMBL20140246 0.85 MTOR (0.57) MTORRPTORMLST8PARP1
SCHEMBL20140719 0.85 MTOR (0.57) MTORRPTORMLST8PARP1

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-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed
WO-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed