SCHEMBL20141466

SCHEMBL20141466

Cc1cc(C)c(C(=O)N2CCN(c3cccnn3)CC2)cc1CN1CCN(c2ccc(F)cc2C#N)CC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTOR P42345 7/20 0.46
RPTOR Q8N122 7/20 0.46
MLST8 Q9BVC4 7/20 0.46
GPR6 P46095 3/20 0.44
NAMPT P43490 1/20 0.43
SLC6A7 Q99884 1/20 0.40
AOC3 Q16853 1/20 0.40
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
KCNH2 Q12809 1/20 0.38
P2RX7 Q99572 1/20 0.37

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
SCHEMBL20156928 0.90 MTOR (0.49) MTORRPTORMLST8GPR6SLC6A7
SCHEMBL20140679 0.89 MTOR (0.51) MTORRPTORMLST8GPR6ALDH1A1
SCHEMBL20140719 0.87 MTOR (0.57) MTORRPTORMLST8GPR6ALDH1A1
SCHEMBL20140246 0.87 MTOR (0.57) MTORRPTORMLST8GPR6ALDH1A1
SCHEMBL20156964 0.81 MTOR (0.49) MTORRPTORMLST8L3MBTL1
SCHEMBL20139897 0.80 GPR6 (0.46) MTORRPTORMLST8GPR6ALDH1A1
SCHEMBL20140350 0.79 MTOR (0.54) MTORRPTORMLST8ALDH1A1GAA
SCHEMBL20139972 0.79 MTOR (0.48) MTORRPTORMLST8ALDH1A1GAA
SCHEMBL20140200 0.79 MTOR (0.59) MTORRPTORMLST8NAMPTALDH1A1
SCHEMBL20139852 0.79 MTOR (0.49) MTORRPTORMLST8ALDH1A1GAA

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