SCHEMBL22563033

SCHEMBL22563033

CC/C(C)=C(\NC)c1ccc(Nc2ccccc2C)cc1N

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 14/20 0.47
MAPK13 O15264 13/20 0.47
MAPK12 P53778 13/20 0.47
MAPK11 Q15759 13/20 0.47
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HDAC1 Q13547 1/20 0.33

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
SCHEMBL22563067 0.86 RAPGEF4 (0.38) MAPK14MAPK13MAPK12MAPK11TDP1
SCHEMBL9799041 0.77 MAPK14 (0.59) MAPK14MAPK13MAPK12MAPK11GAA
SCHEMBL22562963 0.72 MAPK14 (0.39) MAPK14MAPK13MAPK12MAPK11MAPT
SCHEMBL31426816 0.71 TDP1 (0.56) MAPK14MAPK13MAPK12MAPK11GAA
SCHEMBL13973364 0.71 TDP1 (0.56) MAPK14MAPK13MAPK12MAPK11GAA
SCHEMBL27718637 0.69 MAPK13 (0.59) MAPK14MAPK13MAPK12MAPK11
SCHEMBL7567075 0.67 MAPK14 (0.71) MAPK14MAPK13MAPK12MAPK11MAPT
SCHEMBL27718639 0.66 MAPK13 (0.59) MAPK14MAPK13MAPK12MAPK11MAPT
SCHEMBL108882 0.66 MAPT (0.54) MAPK14MAPK13MAPK12MAPK11GAA
SCHEMBL29653984 0.66 MAPT (0.54) MAPK14MAPK13MAPK12MAPK11GAA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3725777-A1 BENZO- AND PYRIDO-PYRAZOLES AS PROTEIN KINASE INHIBITORS Rottapharm Biotech S.r.l. (IT) 2020-10-21 EP disclosed