SCHEMBL7501614

SCHEMBL7501614

CC(=O)N1CCn2nc(-c3ccc(F)cc3)c(-c3ccnc(F)c3)c2N1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 2/20 0.39
CACNG2 Q9Y698 1/20 0.39
CSNK1D P48730 6/20 0.38
CSNK1E P49674 5/20 0.38
MAPK14 Q16539 9/20 0.37
MAPK11 Q15759 3/20 0.37
KCNH2 Q12809 2/20 0.37
MAPK13 O15264 2/20 0.36
MAPK12 P53778 2/20 0.36
GRM5 P41594 1/20 0.36
GSK3B P49841 3/20 0.35
NR3C2 P08235 2/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL7496132 0.90 GRIA1 (0.38) GRIA1CACNG2CSNK1DCSNK1EMAPK14
SCHEMBL7494816 0.90 GRIA1 (0.38) GRIA1CACNG2CSNK1DCSNK1EMAPK14
SCHEMBL7495147 0.88 MAPK14 (0.40) GRIA1CACNG2CSNK1DCSNK1EMAPK14
SCHEMBL7488387 0.87 MAPK14 (0.48) CSNK1DCSNK1EMAPK14MAPK11KCNH2
SCHEMBL7496496 0.87 MAPK14 (0.48) CSNK1DCSNK1EMAPK14MAPK11KCNH2
Hydrochloric Acid SCHEMBL7495189 0.86 MAPK14 (0.48) CSNK1DCSNK1EMAPK14MAPK11KCNH2
SCHEMBL7492424 0.85 MAPK14 (0.36) CSNK1DCSNK1EMAPK14MAPK11MAPK13
SCHEMBL8835905 0.77 MAPK14 (0.45) GRIA1CACNG2CSNK1DCSNK1EMAPK14
SCHEMBL7495724 0.77 MAPK14 (0.47) CSNK1DCSNK1EMAPK14MAPK11KCNH2
SCHEMBL7495111 0.76 MAPK14 (0.45) CSNK1DCSNK1EMAPK14MAPK11KCNH2

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 2 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
WO-1994019350-A1 PYRAZOLITRIAZINES WITH INTERLEUKIN-1 AND TUMOUR NECROSIS FACTOR INHIBITORY ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-09-01 WO disclosed