SCHEMBL5795840

SCHEMBL5795840

Cc1ccccc1-n1nc(-c2oc(N3CCC(N(C)C(=O)O)C3)nc2-c2ccc(F)cc2F)ccc1=O

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK11 Q15759 9/20 0.48
MAPK14 Q16539 9/20 0.48
MAPK13 O15264 8/20 0.48
MAPK12 P53778 7/20 0.48
CYP2C9 P11712 1/20 0.39
CHEK2 O96017 2/20 0.35
FGFR1 P11362 1/20 0.34
FGFR2 P21802 1/20 0.34
FGFR3 P22607 1/20 0.34
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
OGFRL1 Q5TC84 1/20 0.32
ACKR3 P25106 1/20 0.32
CTSA P10619 2/20 0.31
MAPK8 P45983 1/20 0.30
MAPK10 P53779 1/20 0.30
BTK Q06187 1/20 0.30
MRGPRX2 Q96LB1 1/20 0.30

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
SCHEMBL5795633 0.96 MAPK11 (0.49) MAPK11MAPK14MAPK13MAPK12CYP2C9
SCHEMBL5796486 0.93 MAPK11 (0.51) MAPK11MAPK14MAPK13MAPK12CYP2C9
SCHEMBL5795644 0.90 MAPK11 (0.52) MAPK11MAPK14MAPK13MAPK12CYP2C9
SCHEMBL5798471 0.88 MAPK11 (0.52) MAPK11MAPK14MAPK13MAPK12CYP2C9
SCHEMBL5795836 0.86 MAPK13 (0.48) MAPK11MAPK14MAPK13MAPK12CYP2C9
SCHEMBL5795927 0.86 MAPK11 (0.53) MAPK11MAPK14MAPK13MAPK12CYP2C9
SCHEMBL5796468 0.84 MAPK11 (0.52) MAPK11MAPK14MAPK13MAPK12CYP2C9
SCHEMBL5799290 0.77 MAPK14 (0.49) MAPK11MAPK14MAPK13MAPK12CYP2C9
SCHEMBL5795756 0.76 MAPK11 (0.61) MAPK11MAPK14MAPK13MAPK12CYP2C9
SCHEMBL5799438 0.76 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