SCHEMBL5586288

SCHEMBL5586288

O=C(Cc1ccccc1)Nc1onc(-c2cccc(Cl)c2Cl)c1-c1ccncn1

nearest known ligand 0.87

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 15/20 0.87
MAPK9 P45984 1/20 0.58
MAPK10 P53779 1/20 0.58
MAPK11 Q15759 1/20 0.58
SCD O00767 1/20 0.38
SCD5 Q86SK9 1/20 0.38
MAPT P10636 1/20 0.38
CYP3A4 P08684 2/20 0.37
PRKACA P17612 1/20 0.37
ROCK1 Q13464 1/20 0.37
RORC P51449 1/20 0.37

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
SCHEMBL1875686 0.93 MAPK14 (1.00) MAPK14MAPK9MAPK10MAPK11SCD
SCHEMBL1881929 0.90 MAPK14 (1.00) MAPK14MAPK9MAPK10MAPK11MAPT
SCHEMBL1880630 0.87 MAPK14 (0.77) MAPK14MAPK9MAPK10MAPK11MAPT
SCHEMBL1879555 0.85 MAPK14 (0.79) MAPK14MAPK9MAPK10MAPK11CYP3A4
SCHEMBL1881124 0.85 MAPK14 (0.82) MAPK14MAPK9MAPK10MAPK11MAPT
SCHEMBL1877888 0.85 MAPK14 (0.82) MAPK14MAPK9MAPK10MAPK11SCD
SCHEMBL1884227 0.85 MAPK14 (0.75) MAPK14MAPK9MAPK10MAPK11CYP3A4
SCHEMBL1880734 0.84 MAPK14 (0.80) MAPK14MAPK9MAPK10MAPK11SCD
SCHEMBL1880828 0.84 MAPK14 (0.86) MAPK14MAPK9MAPK10MAPK11PRKACA
SCHEMBL1875693 0.83 MAPK14 (0.82) MAPK14MAPK9MAPK10MAPK11

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
EP-1832584-A1 PYRIMIDINYLISOXAZOL DERIVATIVE ASKA Pharmaceutical Co., Ltd. (JP) 2007-09-12 EP disclosed