SCHEMBL5811657

SCHEMBL5811657

Cc1ccccc1-n1nc(-c2c(-c3ccc(F)cc3)n[nH]c2NCCCO)ccc1=O

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK11 Q15759 6/20 0.54
MAPK13 O15264 5/20 0.54
CYP2C9 P11712 1/20 0.54
MAPK14 Q16539 6/20 0.40
MAPK12 P53778 4/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ADORA1 P30542 1/20 0.36
FGFR1 P11362 1/20 0.35
FGFR2 P21802 1/20 0.35
FGFR3 P22607 1/20 0.35
GAA P10253 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
MKNK1 Q9BUB5 1/20 0.32
QPCT Q16769 1/20 0.32

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
SCHEMBL4246294 0.95 MAPK11 (0.55) MAPK11MAPK13CYP2C9MAPK14MAPK12
SCHEMBL5806925 0.88 MAPK11 (0.51) MAPK11MAPK13CYP2C9MAPK14MAPK12
SCHEMBL5812295 0.88 MAPK13 (0.53) MAPK11MAPK13CYP2C9MAPK14MAPK12
SCHEMBL5806880 0.88 MAPK13 (0.50) MAPK11MAPK13CYP2C9MAPK14MAPK12
SCHEMBL4245986 0.86 MAPK13 (0.53) MAPK11MAPK13CYP2C9MAPK14MAPK12
SCHEMBL4760876 0.85 MAPK13 (0.51) MAPK11MAPK13CYP2C9MAPK14MAPK12
SCHEMBL4245202 0.85 MAPK13 (0.53) MAPK11MAPK13CYP2C9MAPK14MAPK12
SCHEMBL4245941 0.84 MAPK11 (0.54) MAPK11MAPK13CYP2C9MAPK14MAPK12
SCHEMBL5807489 0.84 MAPK13 (0.53) MAPK11MAPK13CYP2C9MAPK14MAPK12
SCHEMBL5808499 0.84 MAPK13 (0.48) MAPK11MAPK13CYP2C9MAPK14MAPK12

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
WO-2006038734-A1 PYRIDAZINONE DERIVATIVES CYTOKINES INHIBITORS ASTELLAS PHARMA INC. (JP) 2006-04-13 WO disclosed