SCHEMBL5797305

SCHEMBL5797305

Cc1ccccc1-n1nc(-c2oc(NCCO)nc2-c2ccc(F)cc2F)ccc1=O

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK11 Q15759 12/20 0.55
MAPK14 Q16539 12/20 0.55
MAPK13 O15264 10/20 0.55
MAPK12 P53778 9/20 0.55
CYP2C9 P11712 1/20 0.42
FGFR1 P11362 1/20 0.36
FGFR2 P21802 1/20 0.36
FGFR3 P22607 1/20 0.36
GAA P10253 1/20 0.35
ALPL P05186 1/20 0.34
CTSA P10619 2/20 0.33
DHODH Q02127 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 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
SCHEMBL5799438 0.82 MAPK11 (0.61) MAPK11MAPK14MAPK13MAPK12CYP2C9
SCHEMBL5795756 0.82 MAPK11 (0.61) MAPK11MAPK14MAPK13MAPK12CYP2C9
SCHEMBL5798634 0.82 MAPK14 (0.52) MAPK11MAPK14MAPK13MAPK12CYP2C9
SCHEMBL5796466 0.81 MAPK14 (0.52) MAPK11MAPK14MAPK13MAPK12CYP2C9
SCHEMBL5799290 0.80 MAPK14 (0.49) MAPK11MAPK14MAPK13MAPK12CYP2C9
SCHEMBL5797338 0.78 MAPK14 (0.49) MAPK11MAPK14MAPK13MAPK12CYP2C9
SCHEMBL5795927 0.77 MAPK11 (0.53) MAPK11MAPK14MAPK13MAPK12CYP2C9
SCHEMBL5798532 0.77 MAPK13 (0.46) MAPK11MAPK14MAPK13MAPK12MAPT
SCHEMBL5798471 0.76 MAPK11 (0.52) MAPK11MAPK14MAPK13MAPK12CYP2C9
SCHEMBL5796468 0.76 MAPK11 (0.52) 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