SCHEMBL20139972

SCHEMBL20139972

Cc1cc(C)c(C(=O)N2CCN(c3ncc(F)cc3C#N)CC2)cc1CN1CCN(c2ccccc2C#N)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 10/20 0.48
RPTOR Q8N122 10/20 0.48
MLST8 Q9BVC4 10/20 0.48
PARP1 P09874 1/20 0.42
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
GAA P10253 1/20 0.41
CLK1 P49759 1/20 0.41

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
SCHEMBL20139989 0.90 MTOR (0.49) MTORRPTORMLST8PARP1KDM4E
SCHEMBL20156964 0.89 MTOR (0.49) MTORRPTORMLST8PARP1KDM4E
SCHEMBL20140323 0.88 KDM4E (0.54) MTORRPTORMLST8PARP1KDM4E
SCHEMBL20156994 0.88 KDM4E (0.54) MTORRPTORMLST8PARP1KDM4E
SCHEMBL20140246 0.88 MTOR (0.57) MTORRPTORMLST8PARP1ALDH1A1
SCHEMBL20140719 0.88 MTOR (0.57) MTORRPTORMLST8PARP1ALDH1A1
SCHEMBL20140200 0.88 MTOR (0.59) MTORRPTORMLST8PARP1KDM4E
SCHEMBL20140700 0.87 MTOR (0.48) MTORRPTORMLST8PARP1KDM4E
SCHEMBL20141543 0.86 MTOR (0.54) MTORRPTORMLST8PARP1KDM4E
SCHEMBL20141707 0.86 MTOR (0.47) MTORRPTORMLST8PARP1KDM4E

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 1 patent. 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