SCHEMBL5593395

SCHEMBL5593395

COC(=O)C(=O)C/C(=N\O)c1cc(NC(=O)c2cc(F)cc(N3CCOCC3)c2)cnc1C

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.48
RAF1 P04049 7/20 0.46
MAPK14 Q16539 12/20 0.46
BRAF P15056 6/20 0.46
MAPK13 O15264 1/20 0.45
MAPK12 P53778 1/20 0.45
MAPK11 Q15759 1/20 0.45

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
SCHEMBL5593401 1.00 PLAU (0.48) PLAURAF1MAPK14BRAFMAPK13
SCHEMBL4409060 0.80 MAPK14 (0.54) PLAURAF1MAPK14BRAFMAPK13
SCHEMBL15074587 0.80 PLAU (0.57) PLAURAF1MAPK14BRAFMAPK13
SCHEMBL5484374 0.79 MAPK14 (0.51) PLAURAF1MAPK14BRAFMAPK13
SCHEMBL4551755 0.77 PLAU (0.48) PLAURAF1MAPK14BRAFMAPK13
SCHEMBL4551497 0.77 MAPK14 (0.60) PLAURAF1MAPK14MAPK13MAPK12
SCHEMBL15070867 0.77 PLAU (0.52) PLAURAF1MAPK14BRAFMAPK13
SCHEMBL4551653 0.76 DDR2 (0.55) PLAURAF1MAPK14BRAFMAPK13
SCHEMBL4727498 0.76 RAF1 (0.53) RAF1BRAF
SCHEMBL4727385 0.76 RAF1 (0.56) RAF1MAPK14BRAF

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-2007075896-A2 HETEROCYCLIC CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-07-05 WO disclosed