SCHEMBL7494396

SCHEMBL7494396

CCC(=O)C(=O)N1CCn2nc(-c3ccc(F)cc3)c(-c3ccncc3)c2N1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 15/20 0.44
MAPK11 Q15759 2/20 0.41
KCNH2 Q12809 1/20 0.41
CSNK1A1 P48729 1/20 0.39
CSNK1D P48730 1/20 0.39
CSNK1E P49674 1/20 0.39
SRC P12931 3/20 0.38
BRAF P15056 3/20 0.38
KDR P35968 3/20 0.38
EGFR P00533 1/20 0.38
RAF1 P04049 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38
ADORA1 P30542 1/20 0.38
GSK3B P49841 1/20 0.38
RIPK3 Q9Y572 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
SCHEMBL7494401 0.88 ALOX5 (0.43) MAPK14MAPK11KCNH2CSNK1A1CSNK1D
SCHEMBL7488387 0.87 MAPK14 (0.48) MAPK14MAPK11KCNH2CSNK1A1CSNK1D
SCHEMBL7496496 0.87 MAPK14 (0.48) MAPK14MAPK11KCNH2CSNK1A1CSNK1D
SCHEMBL7492768 0.87 MAPK14 (0.49) MAPK14MAPK11KCNH2CSNK1A1CSNK1D
SCHEMBL7495111 0.87 MAPK14 (0.45) MAPK14MAPK11KCNH2CSNK1A1CSNK1D
Hydrochloric Acid SCHEMBL7495189 0.86 MAPK14 (0.48) MAPK14MAPK11KCNH2CSNK1A1CSNK1D
SCHEMBL7500532 0.86 MAPK14 (0.43) MAPK14MAPK11KCNH2CSNK1A1CSNK1D
SCHEMBL7499669 0.85 MAPK14 (0.46) MAPK14MAPK11KCNH2CSNK1A1CSNK1D
SCHEMBL7500738 0.85 MAPK14 (0.42) MAPK14MAPK11KCNH2CSNK1A1CSNK1D
SCHEMBL9394276 0.85 MAPK14 (0.42) MAPK14MAPK11KCNH2CSNK1A1CSNK1D

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
EP-0686156-B1 PYRAZOLITRIAZINES WITH INTERLEUKIN-1 AND TUMOUR NECROSIS FACTOR INHIBITORY ACTIVITY FUJISAWA PHARMACEUTICAL CO (JP) 2002-07-17 EP disclosed
EP-0686156-A1 PYRAZOLITRIAZINES WITH INTERLEUKIN-1 AND TUMOUR NECROSIS FACTOR INHIBITORY ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-12-13 EP disclosed
WO-1994019350-A1 PYRAZOLITRIAZINES WITH INTERLEUKIN-1 AND TUMOUR NECROSIS FACTOR INHIBITORY ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-09-01 WO disclosed