SCHEMBL7495147

SCHEMBL7495147

COc1cc(-c2c(-c3ccc(F)cc3)nn3c2NN(C(C)=O)CC3)ccn1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.40
MAPK11 Q15759 2/20 0.40
MAPK13 O15264 1/20 0.40
MAPK12 P53778 1/20 0.40
ADORA2A P29274 1/20 0.39
CSNK1D P48730 3/20 0.39
CSNK1E P49674 2/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
PTGS2 P35354 2/20 0.39
PTGS1 P23219 1/20 0.39
GRIA1 P42261 1/20 0.37
CACNG2 Q9Y698 1/20 0.37
MAPK1 P28482 1/20 0.37
KIT P10721 5/20 0.37
DGAT2 Q96PD7 1/20 0.36
KCNH2 Q12809 1/20 0.35
CLK1 P49759 1/20 0.35
DYRK1A Q13627 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
SCHEMBL7494816 0.89 GRIA1 (0.38) MAPK14MAPK11MAPK13MAPK12CSNK1D
SCHEMBL7501614 0.88 GRIA1 (0.39) MAPK14MAPK11MAPK13MAPK12CSNK1D
SCHEMBL7494995 0.87 CSNK1D (0.39) MAPK14MAPK11MAPK13MAPK12ADORA2A
SCHEMBL7496132 0.87 GRIA1 (0.38) MAPK14MAPK11MAPK13MAPK12ADORA2A
SCHEMBL7496496 0.84 MAPK14 (0.48) MAPK14MAPK11MAPK13MAPK12ADORA2A
SCHEMBL7488387 0.84 MAPK14 (0.48) MAPK14MAPK11MAPK13MAPK12ADORA2A
Hydrochloric Acid SCHEMBL7495189 0.83 MAPK14 (0.48) MAPK14MAPK11MAPK13MAPK12ADORA2A
SCHEMBL24553785 0.80 CSNK1E (0.44) MAPK14MAPK11MAPK13MAPK12ADORA2A
SCHEMBL29682898 0.80 CSNK1E (0.44) MAPK14MAPK11MAPK13MAPK12ADORA2A
SCHEMBL7494623 0.79 MAPK14 (0.43) MAPK14MAPK11MAPK13MAPK12ADORA2A

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