SCHEMBL8835906

SCHEMBL8835906

CN1CCCn2nc(-c3ccc(F)cc3)c(-c3ccncc3)c21

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 15/20 0.62
MAPK11 Q15759 4/20 0.47
CSNK1D P48730 3/20 0.46
CSNK1E P49674 2/20 0.46
CSNK1A1 P48729 2/20 0.46
MAPK13 O15264 1/20 0.46
MAPK12 P53778 1/20 0.46
EGFR P00533 2/20 0.46
MAPK9 P45984 1/20 0.46
SRC P12931 2/20 0.45
BRAF P15056 2/20 0.45
KDR P35968 2/20 0.45
RAF1 P04049 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
ADORA2A P29274 1/20 0.45
ADORA2B P29275 1/20 0.45
ADORA1 P30542 1/20 0.45
GSK3B P49841 1/20 0.45
THRB P10828 1/20 0.44

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
SCHEMBL8835908 0.82 MAPK14 (0.57) MAPK14MAPK11CSNK1DCSNK1ECSNK1A1
SCHEMBL8835977 0.82 MAPK14 (0.57) MAPK14MAPK11CSNK1DCSNK1ECSNK1A1
SCHEMBL8836397 0.80 MAPK14 (0.54) MAPK14MAPK11CSNK1DCSNK1ECSNK1A1
SCHEMBL2522580 0.79 MAPK14 (0.62) MAPK14CSNK1DCSNK1ECSNK1A1EGFR
SCHEMBL25253899 0.77 MAPK14 (0.53) MAPK14MAPK11CSNK1DCSNK1ECSNK1A1
SCHEMBL30403657 0.77 MAPK14 (1.00) MAPK14CSNK1DCSNK1ECSNK1A1EGFR
SCHEMBL25611718 0.76 MAPK14 (0.52) MAPK14MAPK11CSNK1DCSNK1ECSNK1A1
SCHEMBL8836433 0.75 MAPK14 (0.60) MAPK14MAPK11CSNK1DCSNK1ECSNK1A1
SCHEMBL8836684 0.75 MAPK14 (0.60) MAPK14MAPK11CSNK1DCSNK1ECSNK1A1
SCHEMBL25223060 0.75 MAPK14 (0.51) MAPK14MAPK11CSNK1DCSNK1ECSNK1A1

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