SCHEMBL20140571

SCHEMBL20140571

Cc1cc(C)c(-c2nnc3n2CCN(c2ccccc2C#N)C3)cc1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 5/20 0.39
DRD2 P14416 3/20 0.39
DRD3 P35462 2/20 0.39
RXFP1 Q9HBX9 1/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
HTR2A P28223 1/20 0.37
THPO P40225 1/20 0.37
HIF1A Q16665 1/20 0.37
NOTUM Q6P988 1/20 0.37
MAPT P10636 1/20 0.36
AR P10275 1/20 0.36
MTOR P42345 2/20 0.36
RPTOR Q8N122 2/20 0.36
MLST8 Q9BVC4 2/20 0.36
GMNN O75496 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL20141285 0.89 KDM4E (0.40) DRD4DRD2DRD3KDM4EALDH1A1
SCHEMBL20156967 0.83 KDM4E (0.35) DRD4DRD2DRD3KDM4EALDH1A1
SCHEMBL20156864 0.83 MTOR (0.47) ALDH1A1MAPTMTORRPTORMLST8
SCHEMBL20140506 0.79 CHRM2 (0.43) MAPTMTORRPTORMLST8P2RX7
SCHEMBL20140508 0.79 CHRM2 (0.43) MAPTMTORRPTORMLST8P2RX7
SCHEMBL20141643 0.75 P2RX7 (0.43) TACR3P2RX7
SCHEMBL20156949 0.74 MTOR (0.54) DRD4DRD2DRD3ALDH1A1MAPT
SCHEMBL20140344 0.73 PHGDH (0.48) DRD4DRD2DRD3KDM4EALDH1A1
SCHEMBL20141866 0.72 MTOR (0.48) DRD4DRD2DRD3MTORRPTOR
SCHEMBL20140667 0.72 TRPC5 (0.42) DRD4DRD2DRD3KDM4EALDH1A1

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