SCHEMBL8835908

SCHEMBL8835908

CC(=O)N1CCCn2nc(-c3ccc(F)cc3)c(-c3ccncc3)c21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 16/20 0.57
MAPK11 Q15759 3/20 0.47
KCNH2 Q12809 1/20 0.47
MAPK13 O15264 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
MAPK12 P53778 1/20 0.44
CSNK1A1 P48729 2/20 0.42
CSNK1D P48730 2/20 0.42
CSNK1E P49674 1/20 0.42
GRM5 P41594 1/20 0.42
SRC P12931 2/20 0.41
BRAF P15056 2/20 0.41
KDR P35968 2/20 0.41
EGFR P00533 1/20 0.41
RAF1 P04049 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA2B P29275 1/20 0.41
ADORA1 P30542 1/20 0.41

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
SCHEMBL8835977 1.00 MAPK14 (0.57) MAPK14MAPK11KCNH2MAPK13CYP2C9
SCHEMBL20376835 0.84 MAPK14 (0.55) MAPK14MAPK11KCNH2MAPK13MAPK12
SCHEMBL8835906 0.82 MAPK14 (0.62) MAPK14MAPK11MAPK13MAPK12CSNK1A1
SCHEMBL7499619 0.81 MAPK14 (0.53) MAPK14MAPK11KCNH2MAPK13CYP2C9
SCHEMBL25269361 0.77 MAPK14 (0.52) MAPK14MAPK11KCNH2MAPK13CYP2C9
SCHEMBL7493509 0.76 MAPK14 (0.45) MAPK14MAPK11KCNH2MAPK13CYP2C9
SCHEMBL8836397 0.75 MAPK14 (0.54) MAPK14MAPK11MAPK13MAPK12CSNK1A1
SCHEMBL2522580 0.74 MAPK14 (0.62) MAPK14CSNK1A1CSNK1DCSNK1ESRC
SCHEMBL7488387 0.74 MAPK14 (0.48) MAPK14MAPK11KCNH2MAPK13CYP2C9
SCHEMBL7496496 0.74 MAPK14 (0.48) MAPK14MAPK11KCNH2MAPK13CYP2C9

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