SCHEMBL9905012

SCHEMBL9905012

Cn1cc(Cc2c[nH]cnc2=O)cn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARG Q86W56 2/20 0.36
ACVR1 Q04771 1/20 0.35
JAK2 O60674 5/20 0.33
JAK3 P52333 5/20 0.33
JAK1 P23458 4/20 0.33
TYK2 P29597 2/20 0.33
GRM2 Q14416 2/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRA5 P31644 1/20 0.33
AURKA O14965 1/20 0.33
TTK P33981 1/20 0.33
AURKB Q96GD4 1/20 0.33
INCENP Q9NQS7 1/20 0.33
PLA2G7 Q13093 2/20 0.32
ALDH1A1 P00352 1/20 0.32
KDM5B Q9UGL1 1/20 0.32
NLRP3 Q96P20 1/20 0.32
KCNH2 Q12809 2/20 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
SCHEMBL9904838 0.77 GABRA1 (0.36) PARGJAK2JAK3JAK1TYK2
SCHEMBL9904839 0.77 PARG (0.38) PARGJAK2JAK3JAK1TYK2
SCHEMBL27924945 0.76 PLA2G7 (0.31) PLA2G7
SCHEMBL9904824 0.74 PLA2G7 (0.39) PLA2G7
SCHEMBL9904933 0.73 CYP1A2 (0.34) GRM2PLA2G7ALDH1A1
SCHEMBL27924946 0.73 PLA2G7 (0.44) GABRA1GABRA5PLA2G7KCNH2
SCHEMBL30628842 0.72 KCNH2 (0.43) JAK2JAK3JAK1GRM2GABRA1
SCHEMBL9259240 0.70 HRH3 (0.40) ALDH1A1
SCHEMBL4416576 0.70 PARG (0.41) PARGAURKATTKAURKBINCENP
SCHEMBL9106161 0.69 PARG (0.37) PARGJAK2JAK3PLA2G7NLRP3

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