SCHEMBL4409138

SCHEMBL4409138

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

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.50
RAF1 P04049 5/20 0.47
BRAF P15056 5/20 0.47
MAPK13 O15264 1/20 0.46
MAPK12 P53778 1/20 0.46
MAPK11 Q15759 1/20 0.46
PDE4B Q07343 1/20 0.45
PLAU P00749 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
SCHEMBL4541488 0.93 MAPK14 (0.44) MAPK14RAF1BRAF
SCHEMBL4543576 0.93 RAB9A (0.44) MAPK14
SCHEMBL4552259 0.90 MAPK14 (0.48) MAPK14RAF1BRAFMAPK13MAPK12
SCHEMBL14534471 0.89 MAPK14 (0.50) MAPK14RAF1BRAFMAPK13MAPK12
SCHEMBL4551616 0.88 MAPK14 (0.49) MAPK14RAF1BRAFMAPK13MAPK12
SCHEMBL5488042 0.87 MAPK14 (0.44) MAPK14RAF1BRAFMAPK13MAPK12
SCHEMBL4408418 0.86 CRHR1 (0.48) MAPK14RAF1BRAFMAPK13MAPK12
SCHEMBL4551755 0.86 PLAU (0.48) MAPK14RAF1BRAFMAPK13MAPK12
SCHEMBL14534694 0.85 MAPK14 (0.45) MAPK14RAF1BRAFMAPK13MAPK12
SCHEMBL14534670 0.85 MAPK14 (0.46) MAPK14RAF1BRAFMAPK13MAPK12

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