SCHEMBL9208024

SCHEMBL9208024

CSc1ccc(-c2ccnn2-c2ccc(F)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.46
MAPK13 O15264 5/20 0.46
MAPK12 P53778 5/20 0.46
MAPK11 Q15759 5/20 0.46
NR3C2 P08235 1/20 0.44
GCGR P47871 7/20 0.43
KDM5A P29375 1/20 0.43
KDM2B Q8NHM5 1/20 0.43
KDM4C Q9H3R0 1/20 0.43
KDM5B Q9UGL1 1/20 0.43
PTGS1 P23219 3/20 0.41
PTGS2 P35354 3/20 0.41
FLT3 P36888 1/20 0.40
MAPK9 P45984 3/20 0.39
PRKD3 O94806 1/20 0.39
MAP4K4 O95819 1/20 0.39
LCK P06239 1/20 0.39
RET P07949 1/20 0.39
ALOX5 P09917 1/20 0.39
PRKACA P17612 1/20 0.39

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
SCHEMBL17086632 0.83 MEN1 (0.50) MAPK14NR3C2KDM5AKDM2BKDM4C
SCHEMBL15503778 0.79 KDM5A (0.51) MAPK14NR3C2KDM5AKDM2BKDM4C
SCHEMBL25611895 0.79 FLT3 (0.61) MAPK14NR3C2KDM5AKDM2BKDM4C
SCHEMBL27742800 0.79 MAPK9 (0.51) MAPK14NR3C2KDM5AKDM2BKDM4C
SCHEMBL9207835 0.78 PTGS2 (0.51) MAPK14MAPK13MAPK12MAPK11PTGS1
SCHEMBL8953896 0.77 PTGS2 (0.65) KDM5AKDM4CKDM5BPTGS1PTGS2
SCHEMBL5698464 0.77 MAPK14 (0.44) MAPK14NR3C2KDM5AKDM2BKDM4C
SCHEMBL5698465 0.77 PTGS2 (0.65) KDM5AKDM4CKDM5BPTGS1PTGS2
SCHEMBL694620 0.76 KDM5A (0.46) MAPK14NR3C2KDM5AKDM2BKDM4C
SCHEMBL9202494 0.75 PTGS2 (0.52) MAPK14MAPK13MAPK12MAPK11PTGS1

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-0418845-B1 Pyrazole derivatives, processes for preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO (JP) 1995-08-09 EP disclosed
US-5134142-A PYRAZOLE DERIVATIVES, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-07-28 US disclosed
EP-0418845-A1 Pyrazole derivatives, processes for preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-03-27 EP disclosed