SCHEMBL5548672

SCHEMBL5548672

NCC(C=O)c1cccc(-n2nc(-c3cccs3)cc2NC(=O)Nc2cccc(Cl)c2Cl)c1

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 17/20 0.69
ABL1 P00519 1/20 0.47
ABL2 P42684 1/20 0.47
MAPK8 P45983 1/20 0.47
MAPK11 Q15759 1/20 0.47
RAF1 P04049 1/20 0.46
BRAF P15056 1/20 0.46
EPHB2 P29323 1/20 0.46
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL4049135 0.88 MAPK14 (0.69) MAPK14ABL1ABL2MAPK8MAPK11
SCHEMBL2083369 0.85 MAPK14 (0.71) MAPK14ABL1ABL2MAPK8MAPK11
SCHEMBL2079106 0.85 MAPK14 (0.68) MAPK14ABL1ABL2MAPK8MAPK11
SCHEMBL5549496 0.83 MAPK14 (0.69) MAPK14ABL1ABL2MAPK8MAPK11
SCHEMBL4052308 0.82 MAPK14 (0.82) MAPK14ABL1ABL2MAPK8MAPK11
SCHEMBL2082516 0.82 MAPK14 (1.00) MAPK14ABL1ABL2MAPK8MAPK11
SCHEMBL2082534 0.81 MAPK14 (0.86) MAPK14ABL1ABL2MAPK8MAPK11
SCHEMBL2084044 0.79 MAPK14 (0.86) MAPK14ABL1ABL2MAPK8MAPK11
SCHEMBL4302272 0.79 MAPK14 (0.74) MAPK14ABL1ABL2MAPK8MAPK11
SCHEMBL2084896 0.79 MAPK14 (0.64) MAPK14ABL1ABL2MAPK8MAPK11

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