SCHEMBL5799317

SCHEMBL5799317

Cc1ccccc1-n1nc(-c2c(-c3ccc(F)cc3)nn3c2NCCC3)ccc1=O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 6/20 0.70
MAPK11 Q15759 6/20 0.70
CYP2C9 P11712 1/20 0.70
MAPK14 Q16539 7/20 0.41
MAPK12 P53778 5/20 0.41
FGFR1 P11362 1/20 0.40
FGFR2 P21802 1/20 0.40
FGFR3 P22607 1/20 0.40
THRB P10828 2/20 0.37
TGFBR1 P36897 1/20 0.36
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
CNR1 P21554 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 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
SCHEMBL4242576 0.94 MAPK13 (0.69) MAPK13MAPK11CYP2C9MAPK14MAPK12
SCHEMBL5812510 0.88 MAPK11 (0.56) MAPK13MAPK11CYP2C9MAPK14MAPK12
SCHEMBL4247658 0.85 MAPK11 (0.67) MAPK13MAPK11CYP2C9MAPK14MAPK12
SCHEMBL29594233 0.83 MAPK11 (0.65) MAPK13MAPK11CYP2C9MAPK14MAPK12
SCHEMBL29593891 0.83 MAPK13 (0.65) MAPK13MAPK11CYP2C9MAPK14MAPK12
SCHEMBL4541468 0.83 MAPK11 (0.65) MAPK13MAPK11CYP2C9MAPK14MAPK12
SCHEMBL4236910 0.83 MAPK13 (0.78) MAPK13MAPK11CYP2C9MAPK14MAPK12
SCHEMBL4241057 0.83 MAPK13 (0.65) MAPK13MAPK11CYP2C9MAPK14MAPK12
SCHEMBL4241312 0.83 MAPK11 (0.68) MAPK13MAPK11CYP2C9MAPK14MAPK12
SCHEMBL4712375 0.83 MAPK13 (0.79) MAPK13MAPK11CYP2C9MAPK14MAPK12

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