SCHEMBL4554130

SCHEMBL4554130

CCOS(=O)(=O)CCc1c(C)nn(C)c1-n1ccc2cc(Cl)ccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 6/20 0.40
MAPK9 P45984 4/20 0.40
MAPK10 P53779 3/20 0.40
PIM1 P11309 2/20 0.35
MAP4K4 O95819 1/20 0.35
CSF1R P07333 1/20 0.35
CLK2 P49760 1/20 0.35
MAP4K2 Q12851 1/20 0.35
MINK1 Q8N4C8 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
MAP4K5 Q9Y4K4 1/20 0.35
LMNA P02545 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MCHR1 Q99705 1/20 0.33
RET P07949 1/20 0.33
PDGFRB P09619 1/20 0.33
CDK2 P24941 1/20 0.33
CDK9 P50750 1/20 0.33
MAP2K1 Q02750 1/20 0.33
MST1R Q04912 1/20 0.33

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
SCHEMBL963189 0.86 MAPK8 (0.36) MAPK8MAPK9MAPK10PIM1MAP4K4
SCHEMBL961563 0.84 MAPK8 (0.37) MAPK8MAPK9MAPK10PIM1MAP4K4
SCHEMBL4555122 0.83 MAPK8 (0.37) MAPK8MAPK9MAPK10LMNAL3MBTL1
SCHEMBL4570493 0.82 PHGDH (0.36) MAPK8MAPK9MAPK10TP53PTGDR2
SCHEMBL965783 0.81 KDM4E (0.43) MAPK8MAPK9MAPK10LMNAL3MBTL1
SCHEMBL4554768 0.81 MAPK8 (0.33) MAPK8MAPK9MAPK10PIM1MAP4K4
SCHEMBL967888 0.81 MAPK8 (0.34) MAPK8MAPK9MAPK10PIM1MAP4K4
SCHEMBL964906 0.80 KMT2A (0.42) MAPK8MAPK9MAPK10PIM1MAP4K4
SCHEMBL964487 0.80 HTR2A (0.38) MAPK8MAPK9MAPK10PIM1MAP4K4
SCHEMBL4553742 0.80 MAPK8 (0.37) MAPK8MAPK9MAPK10PIM1MAP4K4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2118066-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA Takeda Pharmaceutical Company Limited (JP) 2009-11-18 EP disclosed
WO-2008099794-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-08-21 WO disclosed