SCHEMBL5796356

SCHEMBL5796356

Cc1ccccc1-n1nc(-c2sc(N3CCC(N(C)C)C3)nc2-c2ccccc2F)ccc1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 4/20 0.40
MAPK11 Q15759 4/20 0.40
MAPK12 P53778 3/20 0.40
MAPK14 Q16539 3/20 0.40
FGFR1 P11362 1/20 0.37
FGFR2 P21802 1/20 0.37
FGFR3 P22607 1/20 0.37
CYP2C9 P11712 1/20 0.36
PIM1 P11309 1/20 0.34
PIM3 Q86V86 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
CHEK2 O96017 4/20 0.33
MAPK8 P45983 2/20 0.33
BTK Q06187 2/20 0.33
MRGPRX2 Q96LB1 2/20 0.33
MAPK10 P53779 1/20 0.33
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAP4K1 Q92918 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
SCHEMBL5795738 0.89 MAPK13 (0.46) MAPK13MAPK11MAPK12MAPK14FGFR1
SCHEMBL5797429 0.85 MAPK8 (0.38) MAPK13MAPK11MAPK12MAPK14FGFR1
SCHEMBL5796363 0.84 SLC5A1 (0.37) MAPK13MAPK11MAPK12MAPK14FGFR1
SCHEMBL5798480 0.83 MAPK13 (0.40) MAPK13MAPK11MAPK12MAPK14FGFR1
SCHEMBL5796380 0.80 MAPK11 (0.39) MAPK13MAPK11MAPK12MAPK14CYP2C9
SCHEMBL5799269 0.80 CHEK2 (0.36) PIM1PIM3PIM2CHEK2MAPK8
SCHEMBL5795724 0.79 MAPK13 (0.37) MAPK13MAPK11MAPK12MAPK14FGFR1
SCHEMBL5813023 0.79 CYP2C9 (0.37) MAPK13MAPK11MAPK12MAPK14CYP2C9
SCHEMBL5799224 0.79 MAPK13 (0.37) MAPK13MAPK11FGFR1FGFR2FGFR3
SCHEMBL5817772 0.78 MAPK13 (0.40) MAPK13MAPK11MAPK12MAPK14CYP2C9

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