SCHEMBL8836686

SCHEMBL8836686

CSc1ccc(-c2oncc2-c2ccncc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 9/20 0.47
GCGR P47871 7/20 0.47
MAPK13 O15264 6/20 0.47
MAPK12 P53778 6/20 0.47
MAPK11 Q15759 6/20 0.47
SLC22A12 Q96S37 1/20 0.43
PRKD3 O94806 1/20 0.37
MAP4K4 O95819 1/20 0.37
LCK P06239 1/20 0.37
RET P07949 1/20 0.37
ALOX5 P09917 1/20 0.37
PRKACA P17612 1/20 0.37
RPS6KB1 P23443 1/20 0.37
MATK P42679 1/20 0.37
FRK P42685 1/20 0.37
MAPK9 P45984 1/20 0.37
CSNK1A1 P48729 1/20 0.37
CSNK1D P48730 1/20 0.37
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37

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
SCHEMBL7496200 0.79 MAPK14 (0.58) MAPK14GCGRMAPK13MAPK12MAPK11
SCHEMBL5256356 0.79 TDO2 (0.54) MAPK14GCGRRPS6KA3NPC1RAB9A
SCHEMBL30518879 0.75 MAPT (0.55) MAPK14GCGRMAPK13MAPK12MAPK11
SCHEMBL1167560 0.75 BRD4 (0.46) RAB9A
SCHEMBL27765844 0.74 NPC1 (0.47) RPS6KA3NPC1RAB9A
SCHEMBL12338656 0.72 MEN1 (0.41) RETGSK3AGSK3BCLK4RPS6KA3
SCHEMBL5775812 0.70 CYP19A1 (0.34) MAPK14GCGRMAPK13MAPK12MAPK11
SCHEMBL1168500 0.70 MEN1 (0.47) MAPK14GCGRSLC22A12RPS6KA3NPC1
SCHEMBL1167381 0.70 GAK (0.50) NPC1
SCHEMBL1168501 0.69 MEN1 (0.46) SLC22A12NPC1RAB9A

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
US-5624931-A Pyrazole derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-04-29 US disclosed
US-5478827-A Inhibits Interleukin-1 and tumor necrosis factor production FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-12-26 US disclosed
EP-0531901-A2 Condensed pyrazole derivatives with interleukin-1 and tumour necrosis factor inhibitory activity FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-03-17 EP disclosed