SCHEMBL5795633

SCHEMBL5795633

Cc1ccccc1-n1nc(-c2oc(N3CCC(N(C)C(=O)O)CC3)nc2-c2ccc(F)cc2F)ccc1=O

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK11 Q15759 9/20 0.49
MAPK14 Q16539 9/20 0.49
MAPK13 O15264 8/20 0.49
MAPK12 P53778 7/20 0.49
CYP2C9 P11712 1/20 0.38
FGFR1 P11362 1/20 0.34
FGFR2 P21802 1/20 0.34
FGFR3 P22607 1/20 0.34
CHEK2 O96017 2/20 0.33
ACKR3 P25106 1/20 0.32
NPY5R Q15761 1/20 0.32
KCNH2 Q12809 1/20 0.32
KIF11 P52732 1/20 0.31
CCR3 P51677 1/20 0.31

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
SCHEMBL5795840 0.96 MAPK11 (0.48) MAPK11MAPK14MAPK13MAPK12CYP2C9
SCHEMBL5795644 0.93 MAPK11 (0.52) MAPK11MAPK14MAPK13MAPK12CYP2C9
SCHEMBL5796486 0.90 MAPK11 (0.51) MAPK11MAPK14MAPK13MAPK12CYP2C9
SCHEMBL5795927 0.89 MAPK11 (0.53) MAPK11MAPK14MAPK13MAPK12CYP2C9
SCHEMBL5796468 0.86 MAPK11 (0.52) MAPK11MAPK14MAPK13MAPK12CYP2C9
SCHEMBL5798471 0.86 MAPK11 (0.52) MAPK11MAPK14MAPK13MAPK12CYP2C9
SCHEMBL5795836 0.85 MAPK13 (0.48) MAPK11MAPK14MAPK13MAPK12CYP2C9
SCHEMBL5799290 0.78 MAPK14 (0.49) MAPK11MAPK14MAPK13MAPK12CYP2C9
SCHEMBL5799438 0.77 MAPK11 (0.61) MAPK11MAPK14MAPK13MAPK12CYP2C9
SCHEMBL5795756 0.77 MAPK11 (0.61) MAPK11MAPK14MAPK13MAPK12CYP2C9

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