SCHEMBL8835905

SCHEMBL8835905

Fc1ccc(-c2nn3c(c2-c2ccnc(F)c2)NCCC3)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.45
RIPK2 O43353 3/20 0.42
LCK P06239 3/20 0.42
KDR P35968 3/20 0.42
TGFBR1 P36897 3/20 0.42
THRB P10828 1/20 0.39
MAPK13 O15264 2/20 0.39
MAPK12 P53778 2/20 0.39
MAPK11 Q15759 2/20 0.39
RIPK3 Q9Y572 1/20 0.36
CSNK1D P48730 3/20 0.35
GRIA1 P42261 1/20 0.35
CACNG2 Q9Y698 1/20 0.35
MAPK10 P53779 1/20 0.35
ADORA2A P29274 2/20 0.34
ADORA2B P29275 2/20 0.34
CSNK1A1 P48729 1/20 0.34
CSNK1E P49674 1/20 0.34

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
SCHEMBL8836109 0.88 MAPK14 (0.43) MAPK14RIPK2LCKKDRTGFBR1
SCHEMBL8836433 0.85 MAPK14 (0.60) MAPK14KDRMAPK11CSNK1DADORA2A
SCHEMBL8836684 0.85 MAPK14 (0.60) MAPK14KDRMAPK11CSNK1DADORA2A
SCHEMBL7491995 0.85 MAPK14 (0.39) MAPK14THRBMAPK13MAPK12MAPK11
Hydrochloric Acid SCHEMBL8836232 0.84 MAPK14 (0.59) MAPK14KDRMAPK11CSNK1DADORA2A
Hydrochloric Acid SCHEMBL8836091 0.84 MAPK14 (0.59) MAPK14KDRMAPK11CSNK1DADORA2A
SCHEMBL16008438 0.82 MAPK14 (0.53) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL20376949 0.80 RIPK3 (0.48) MAPK14RIPK3CSNK1DADORA2A
SCHEMBL8836389 0.80 THRB (0.59) MAPK14TGFBR1THRBMAPK13MAPK12
SCHEMBL8836722 0.79 MAPK14 (0.47) MAPK14RIPK2LCKKDRTGFBR1

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 4 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
US-5356897-A Inhibit the production of Interleukin-1 and tumor necrosis factor; administering for treatment of chronic inflammatory diseases, autoimmune diseases and sepsis-induced organ injury FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-10-18 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