SCHEMBL9901093

SCHEMBL9901093

Cc1ncc(Cc2cnc(NCCc3ccc(Oc4ccc(C(F)(F)F)cn4)c(C#N)c3)[nH]c2=O)cn1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 2/20 0.36
PLAAT3 P53816 1/20 0.34
PLAAT5 Q96KN8 1/20 0.34
PLAAT2 Q9NWW9 1/20 0.34
PLAAT4 Q9UL19 1/20 0.34
SCN9A Q15858 4/20 0.33
HPGD P15428 1/20 0.33
XDH P47989 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
RAF1 P04049 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
CNR2 P34972 1/20 0.31
PLA2G7 Q13093 1/20 0.31

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
SCHEMBL9106587 0.87 PLAAT3 (0.33) PLAAT3PLAAT5PLAAT2PLAAT4SCN9A
SCHEMBL9900795 0.83 PLA2G7 (0.48) PLA2G7
SCHEMBL9892569 0.80 CNR2 (0.37) IDH1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL9106957 0.79 PLA2G7 (0.34) PLAAT3PLAAT5PLAAT2PLAAT4SCN9A
SCHEMBL9889709 0.76 CYP2C9 (0.35) SCN9AHPGDXDHSMN1; SMN2NPC1
SCHEMBL9105140 0.72 PLAAT3 (0.46) PLAAT3PLAAT5PLAAT2PLAAT4SCN9A
SCHEMBL9105550 0.72 L3MBTL1 (0.46) SCN9AHPGDSMN1; SMN2L3MBTL1
SCHEMBL876438 0.72 L3MBTL1 (0.46) PLAAT3PLAAT5PLAAT2PLAAT4SCN9A
SCHEMBL9107066 0.72 CNR2 (0.39) IDH1SCN9ASMN1; SMN2RAF1NPC1
SCHEMBL9900797 0.71 MEN1 (0.39) SCN9APLA2G7

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
EP-2649053-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP - PLA2 Glaxo Group Limited (GB) 2013-10-16 EP disclosed
WO-2012076435-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP - PLA2 GLAXO GROUP LIMITED (GB) 2012-06-14 WO disclosed