SCHEMBL8836722

SCHEMBL8836722

Fc1ccc(-c2nn3c(c2-c2ccncn2)NCCC3)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.47
MAPK9 P45984 2/20 0.47
MAP4K4 O95819 1/20 0.47
EGFR P00533 1/20 0.47
FRK P42685 1/20 0.47
CSNK1A1 P48729 1/20 0.47
MAPK11 Q15759 3/20 0.45
MAPK10 P53779 1/20 0.45
THRB P10828 2/20 0.41
MAPK13 O15264 2/20 0.40
MAPK12 P53778 1/20 0.40
CSNK1D P48730 1/20 0.37
CYP2C9 P11712 1/20 0.36
RIPK3 Q9Y572 1/20 0.36
TGFBR1 P36897 2/20 0.36
RIPK2 O43353 1/20 0.36
LCK P06239 1/20 0.36
KDR P35968 1/20 0.36

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
SCHEMBL8836684 0.85 MAPK14 (0.60) MAPK14EGFRCSNK1A1MAPK11CSNK1D
SCHEMBL8836433 0.85 MAPK14 (0.60) MAPK14EGFRCSNK1A1MAPK11CSNK1D
SCHEMBL8836389 0.84 THRB (0.59) MAPK14MAPK11THRBMAPK13MAPK12
Hydrochloric Acid SCHEMBL8836091 0.84 MAPK14 (0.59) MAPK14EGFRCSNK1A1MAPK11CSNK1D
Hydrochloric Acid SCHEMBL8836232 0.84 MAPK14 (0.59) MAPK14EGFRCSNK1A1MAPK11CSNK1D
SCHEMBL8835905 0.79 MAPK14 (0.45) MAPK14CSNK1A1MAPK11MAPK10THRB
SCHEMBL8836272 0.79 MAPK14 (0.45) MAPK14MAPK11THRBMAPK13MAPK12
SCHEMBL8836651 0.78 MAPK14 (0.45) MAPK14CSNK1A1MAPK11THRBMAPK13
SCHEMBL8835842 0.77 MAPK14 (0.56) MAPK14EGFRCSNK1A1MAPK11CSNK1D
SCHEMBL8836109 0.77 MAPK14 (0.43) MAPK14CSNK1A1MAPK11THRBMAPK13

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