SCHEMBL5799290

SCHEMBL5799290

Cc1ccccc1-n1nc(-c2oc(NC3CCN(C(=O)O)CC3)nc2-c2ccc(F)cc2F)ccc1=O

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 9/20 0.49
MAPK11 Q15759 8/20 0.49
MAPK13 O15264 7/20 0.49
MAPK12 P53778 6/20 0.49
CYP2C9 P11712 1/20 0.38
OPRM1 P35372 1/20 0.36
FGFR1 P11362 1/20 0.34
FGFR2 P21802 1/20 0.34
FGFR3 P22607 1/20 0.34
ACKR3 P25106 3/20 0.33
KCNH2 Q12809 1/20 0.32
CTSA P10619 2/20 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
SCHEMBL5798532 0.90 MAPK13 (0.46) MAPK14MAPK11MAPK13MAPK12
SCHEMBL5798634 0.89 MAPK14 (0.52) MAPK14MAPK11MAPK13MAPK12CYP2C9
SCHEMBL5797338 0.88 MAPK14 (0.49) MAPK14MAPK11MAPK13MAPK12CYP2C9
SCHEMBL5796466 0.88 MAPK14 (0.52) MAPK14MAPK11MAPK13MAPK12CYP2C9
SCHEMBL5796468 0.80 MAPK11 (0.52) MAPK14MAPK11MAPK13MAPK12CYP2C9
SCHEMBL5797305 0.80 MAPK11 (0.55) MAPK14MAPK11MAPK13MAPK12CYP2C9
SCHEMBL5795927 0.79 MAPK11 (0.53) MAPK14MAPK11MAPK13MAPK12CYP2C9
SCHEMBL5795633 0.78 MAPK11 (0.49) MAPK14MAPK11MAPK13MAPK12CYP2C9
SCHEMBL5795836 0.78 MAPK13 (0.48) MAPK14MAPK11MAPK13MAPK12CYP2C9
SCHEMBL5799438 0.77 MAPK11 (0.61) MAPK14MAPK11MAPK13MAPK12CYP2C9

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