SCHEMBL4409060

SCHEMBL4409060

COc1ccc(NC(=O)c2cc(NC(=O)c3cc(F)cc(N4CCOCC4)c3)cnc2C)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.54
MAPK13 O15264 1/20 0.51
MAPK12 P53778 1/20 0.51
MAPK11 Q15759 1/20 0.51
PDE4B Q07343 1/20 0.49
BRAF P15056 5/20 0.49
RAF1 P04049 4/20 0.49
PLAU P00749 1/20 0.49
CSF1R P07333 1/20 0.48
DAPK1 P53355 1/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
MAPT P10636 2/20 0.48
HCRTR1 O43613 1/20 0.48
ALDH1A1 P00352 1/20 0.48
PKM P14618 1/20 0.48
DGAT1 O75907 1/20 0.47

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
SCHEMBL4551497 0.92 MAPK14 (0.60) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL5484374 0.92 MAPK14 (0.51) MAPK14MAPK13MAPK12MAPK11BRAF
SCHEMBL4727385 0.89 RAF1 (0.56) MAPK14BRAFRAF1
SCHEMBL4551653 0.89 DDR2 (0.55) MAPK14MAPK13MAPK12MAPK11PDE4B
SCHEMBL4411010 0.86 MAPK14 (0.73) MAPK14MAPK13MAPK12MAPK11MEN1
SCHEMBL4418530 0.85 MAPK14 (0.61) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL4417663 0.85 MAPK14 (0.59) MAPK14MAPK13MAPK12MAPK11BRAF
SCHEMBL4551755 0.85 PLAU (0.48) MAPK14MAPK13MAPK12MAPK11BRAF
SCHEMBL14534471 0.84 MAPK14 (0.50) MAPK14MAPK13MAPK12MAPK11PDE4B
SCHEMBL4409138 0.84 MAPK14 (0.50) MAPK14MAPK13MAPK12MAPK11PDE4B

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