SCHEMBL4552259

SCHEMBL4552259

Cc1ncc(NC(=O)c2cc(F)cc(N3CCOCC3)c2)cc1C(=O)Nc1ccc(NCC(C)C)nc1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.48
PLAU P00749 1/20 0.47
MAPK13 O15264 1/20 0.46
MAPK12 P53778 1/20 0.46
MAPK11 Q15759 1/20 0.46
RAF1 P04049 6/20 0.45
BRAF P15056 6/20 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
SCHEMBL4552351 0.93 MAPK14 (0.44) MAPK14PLAUMAPK13MAPK12MAPK11
SCHEMBL4541434 0.92 MAPK14 (0.43) MAPK14MAPK13MAPK12MAPK11
SCHEMBL4552257 0.91 PDE4B (0.44) MAPK14PLAURAF1BRAF
SCHEMBL4409138 0.90 MAPK14 (0.50) MAPK14PLAUMAPK13MAPK12MAPK11
SCHEMBL4408418 0.88 CRHR1 (0.48) MAPK14PLAUMAPK13MAPK12MAPK11
SCHEMBL4551755 0.88 PLAU (0.48) MAPK14PLAUMAPK13MAPK12MAPK11
SCHEMBL5487361 0.88 MAPK14 (0.47) MAPK14PLAUMAPK13MAPK12MAPK11
SCHEMBL4416933 0.87 MAPK14 (0.43) MAPK14PLAUMAPK13MAPK12MAPK11
SCHEMBL14534471 0.86 MAPK14 (0.50) MAPK14PLAUMAPK13MAPK12MAPK11
SCHEMBL14534670 0.86 MAPK14 (0.46) MAPK14PLAUMAPK13MAPK12MAPK11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2035005-A2 THERAPY USING CYTOKINE INHIBITORS Kemia, INC. (US) 2009-03-18 EP disclosed
WO-2007146712-A2 THERAPY USING CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-12-21 WO disclosed
WO-2007056016-A2 BISAMIDE CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-05-18 WO disclosed
WO-2007056016-A2 BISAMIDE CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-05-18 WO disclosed