SCHEMBL3394476

SCHEMBL3394476

Cc1[nH]c(C)c(-c2ccc(-c3ccc(CN4CCC(C(F)(F)F)CC4)cc3)nc2)c(=O)c1Cl

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 1/20 0.36
MLNR O43193 3/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
GRM2 Q14416 1/20 0.35
DRD2 P14416 6/20 0.35
DRD4 P21917 6/20 0.35
DRD3 P35462 6/20 0.35
MGAT2 Q10469 1/20 0.34
SLC2A1 P11166 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
CRBN Q96SW2 1/20 0.34
IKZF3 Q9UKT9 1/20 0.34
KMT2A Q03164 1/20 0.33
CTSS P25774 1/20 0.33
RORC P51449 1/20 0.33
STAT3 P40763 1/20 0.33

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
Hydrochloric Acid SCHEMBL3397317 0.87 HRH3 (0.41) JAK3DRD2DRD4DRD3MGAT2
SCHEMBL13070030 0.84 GRM2 (0.41) JAK3JAK2JAK1GRM2STAT3
SCHEMBL3396963 0.84 MAP3K11 (0.38) JAK3MLNRJAK2JAK1DRD2
Hydrochloric Acid SCHEMBL3396770 0.83 GRM2 (0.40) JAK3JAK2JAK1GRM2STAT3
SCHEMBL3394837 0.82 GRIN2B (0.40) SLC2A1
SCHEMBL13070352 0.81 SLC2A1 (0.41) DRD2DRD3SLC2A1HRH3
Hydrochloric Acid SCHEMBL3394567 0.80 SLC2A1 (0.40) DRD2DRD3SLC2A1HRH3
SCHEMBL3394483 0.79 TNKS (0.37) JAK3GRM2DRD2DRD4DRD3
Hydrochloric Acid SCHEMBL3394864 0.78 MGAT2 (0.43) DRD2DRD4DRD3MGAT2HRH3
SCHEMBL3710727 0.78 HRH3 (0.46) DRD2DRD4DRD3HRH3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2246329-A1 4(1H)-pyridinone derivatives and their use as antimalaria agents Glaxo Group Limited (GB) 2010-11-03 EP claimed
EP-2246329-A1 4(1H)-pyridinone derivatives and their use as antimalaria agents Glaxo Group Limited (GB) 2010-11-03 EP disclosed
EP-2246329-A1 4(1H)-pyridinone derivatives and their use as antimalaria agents Glaxo Group Limited (GB) 2010-11-03 EP disclosed
WO-2010081904-A1 4 ( 1H) -PYRIDINONE DERIVATIVES AND THEIR USE AS ANTIMALARIA AGENTS GLAXO GROUP LIMITED (GB) 2010-07-22 WO disclosed