SCHEMBL5223523

SCHEMBL5223523

CSc1ccc(-c2nnc(SC)cc2-c2ccc(F)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.47
MAPK14 Q16539 8/20 0.45
GCGR P47871 6/20 0.45
MAPK13 O15264 6/20 0.44
MAPK12 P53778 6/20 0.44
MAPK11 Q15759 6/20 0.44
AXL P30530 1/20 0.43
KEAP1 Q14145 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PRKD3 O94806 1/20 0.42
MAP4K4 O95819 1/20 0.42
LCK P06239 1/20 0.42
RET P07949 1/20 0.42
ALOX5 P09917 1/20 0.42
PRKACA P17612 1/20 0.42
RPS6KB1 P23443 1/20 0.42
MATK P42679 1/20 0.42

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
SCHEMBL5222256 0.84 PTGS1 (0.46) PTGS1MAPK14GCGRMAPK13MAPK12
SCHEMBL5225080 0.77 NPSR1 (0.50) PTGS1MAPK14MAPK11MEN1ALDH1A1
SCHEMBL5222107 0.75 PTGS1 (0.39) PTGS1MAPK14GCGRMAPK13MAPK12
SCHEMBL5227509 0.75 MAPT (0.55) MEN1ALDH1A1KMT2ANPSR1PTGS2
SCHEMBL6725855 0.73 PTGS1 (0.57) PTGS1MAPK14GCGRMAPK13MAPK12
SCHEMBL3939765 0.72 MAPK14 (0.45) PTGS1MAPK14GCGRMAPK13MAPK12
SCHEMBL396399 0.72 ALDH1A1 (0.46) PTGS1MAPK14GCGRMAPK13MAPK12
SCHEMBL7773094 0.72 PTGS1 (0.49) PTGS1MAPK14GCGRMAPK13MAPK12
SCHEMBL6721530 0.71 PTGS1 (0.59) PTGS1MAPK14GCGRMAPK13MAPK12
SCHEMBL5223261 0.71 GSK3B (0.42) MEN1ALDH1A1KMT2ANPSR1GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1300399-B1 PHENYLPYRIDAZINE DERIVATIVES AND DRUGS CONTAINING THE SAME KOWA CO (JP) 2007-08-22 EP disclosed
US-6664256-B1 Interleukin- 1 beta inhibitors KOWA CO., LTD. (JP) 2003-12-16 US disclosed
EP-1300399-A1 PHENYLPYRIDAZINE DERIVATIVES AND DRUGS CONTAINING THE SAME Kowa Co., Ltd. (JP) 2003-04-09 EP disclosed