SCHEMBL5548822

SCHEMBL5548822

CCOC(=O)c1cc(-n2nc(C(C)(C)C)cc2[AsH]C(=O)OCC(Cl)(Cl)Cl)cc2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.37
KDM4E B2RXH2 2/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CDC25B P30305 2/20 0.36
MAPK13 O15264 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36
DDR2 Q16832 1/20 0.36
CDK8 P49336 4/20 0.36
MAPK9 P45984 2/20 0.36
NTRK1 P04629 1/20 0.35
CSNK1A1 P48729 1/20 0.35
GRN P28799 1/20 0.35
SORT1 Q99523 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL2082596 0.83 NTRK1 (0.47) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL2084854 0.80 CDC25B (0.43) MAPK14KDM4EMAPK1TDP1L3MBTL1
SCHEMBL2082645 0.74 MAPK14 (0.64) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL2082620 0.73 MAPK14 (0.64) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL2084403 0.71 MAPK14 (0.55) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL2083268 0.71 MAPK14 (0.64) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL2082474 0.71 MAPK14 (0.53) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL2083671 0.71 MAPK14 (0.65) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL17244248 0.71 L3MBTL1 (0.36) MAPK14KDM4EL3MBTL1CDC25BCDK8
SCHEMBL2083538 0.70 HPGD (0.47) MAPK14MAPK13MAPK12MAPK11DDR2

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-1835934-A2 ENZYME MODULATORS AND TREATMENTS Deciphera Pharmaceuticals, LLC (US) 2007-09-26 EP disclosed
WO-2006071940-A2 ENZYME MODULATORS AND TREATMENTS DECIPHERA PHARMACEUTICALS, LLC (US) 2006-07-06 WO disclosed