SCHEMBL20142054

SCHEMBL20142054

Cc1cc(C)c(C(=O)N2CCN(c3ccccc3C#N)CC2)cc1CC1(NC(=O)OC(C)(C)C)CCN(c2ccccc2C#N)CC1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTOR P42345 8/20 0.45
RPTOR Q8N122 8/20 0.45
MLST8 Q9BVC4 8/20 0.45
NAMPT P43490 1/20 0.40
DRD4 P21917 4/20 0.39
DRD2 P14416 2/20 0.39
DRD3 P35462 2/20 0.39
THRB P10828 1/20 0.39
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
HTR2A P28223 1/20 0.38
THPO P40225 1/20 0.38
HIF1A Q16665 1/20 0.38
GRM5 P41594 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL20156842 0.91 DRD4 (0.39) MTORRPTORMLST8DRD4DRD2
SCHEMBL20141996 0.86 DRD4 (0.46) DRD4DRD2DRD3THRBALDH1A1
SCHEMBL20156840 0.85 RET (0.39) DRD4DRD2DRD3THRBALDH1A1
SCHEMBL20156839 0.84 RET (0.37) DRD4DRD2DRD3THRBALDH1A1
SCHEMBL20156795 0.82 MTOR (0.49) MTORRPTORMLST8NAMPTDRD4
SCHEMBL20156796 0.82 MTOR (0.47) MTORRPTORMLST8NAMPTDRD4
SCHEMBL20157437 0.80 MTOR (0.45) MTORRPTORMLST8NAMPTDRD4
SCHEMBL20142053 0.80 MTOR (0.43) MTORRPTORMLST8NAMPTDRD4
SCHEMBL20140042 0.80 DRD2 (0.51) MTORRPTORMLST8DRD4DRD2
Trifluoroacetic Acid SCHEMBL20140050 0.79 MTOR (0.46) MTORRPTORMLST8NAMPTDRD4

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