SCHEMBL20140063

SCHEMBL20140063

Cc1ccc(C(=O)N2CCN(c3ccccc3C#N)CC2)cc1C(=O)N1CCN(c2ccccc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.62
ALDH1A1 P00352 4/20 0.62
MTOR P42345 2/20 0.54
RPTOR Q8N122 2/20 0.54
MLST8 Q9BVC4 2/20 0.54
LMNA P02545 3/20 0.52
USP2 O75604 2/20 0.52
MAPT P10636 2/20 0.52
MAPK1 P28482 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
REV1 Q9UBZ9 1/20 0.50
NAMPT P43490 1/20 0.50
GFER P55789 1/20 0.50
HSD17B10 Q99714 1/20 0.50
MYC P01106 2/20 0.49
HTT P42858 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49

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
SCHEMBL20141157 1.00 TSHR (0.62) TSHRALDH1A1MTORRPTORMLST8
SCHEMBL20140952 0.94 NAMPT (0.54) TSHRALDH1A1MTORRPTORMLST8
SCHEMBL20140833 0.90 MTOR (0.51) TSHRALDH1A1MTORRPTORMLST8
SCHEMBL20141103 0.90 MYC (0.57) TSHRALDH1A1MTORRPTORMLST8
SCHEMBL20139958 0.85 NAMPT (0.53) TSHRALDH1A1MTORRPTORMLST8
SCHEMBL20140604 0.84 NAMPT (0.49) TSHRALDH1A1MTORRPTORMLST8
SCHEMBL22187976 0.83 MTOR (0.58) TSHRALDH1A1MTORRPTORMLST8
SCHEMBL22186355 0.83 MTOR (0.56) TSHRALDH1A1MTORRPTORMLST8
SCHEMBL20156949 0.83 MTOR (0.54) TSHRALDH1A1MTORRPTORMLST8
SCHEMBL20141464 0.83 MTOR (0.56) TSHRALDH1A1MTORRPTORMLST8

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