SCHEMBL4551496

SCHEMBL4551496

COc1cc(COc2ccc(NC(=O)c3cc(Nc4cc(F)cc(N5CCOCC5)c4)cnc3C)cc2)cc(OC)c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 9/20 0.51
LCK P06239 2/20 0.46
MAPT P10636 3/20 0.45
PDE4B Q07343 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
KDR P35968 1/20 0.44
PLAU P00749 1/20 0.44
MAPK13 O15264 1/20 0.43
MAPK12 P53778 1/20 0.43
MAPK11 Q15759 1/20 0.43
HCRTR1 O43613 1/20 0.43
CSF1R P07333 1/20 0.42
DAPK1 P53355 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
BRAF P15056 1/20 0.42

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 0.91 MAPK14 (0.60) MAPK14LCKMAPTMEN1KMT2A
SCHEMBL4551652 0.86 NR3C1 (0.53) MAPK14MAPTPDE4BKDRPLAU
SCHEMBL4409060 0.82 MAPK14 (0.54) MAPK14MAPTPDE4BMEN1KMT2A
SCHEMBL4551754 0.81 PLAU (0.46) MAPK14PDE4BPLAUMAPK13MAPK12
SCHEMBL4418530 0.80 MAPK14 (0.61) MAPK14MAPTMEN1KMT2AMAPK13
SCHEMBL4417663 0.79 MAPK14 (0.59) MAPK14MAPTMEN1KMT2APLAU
SCHEMBL4551322 0.79 MAPK14 (0.61) MAPK14MAPTL3MBTL1
SCHEMBL4552257 0.79 PDE4B (0.44) MAPK14MAPTPDE4BPLAUBRAF
SCHEMBL4551330 0.79 MAPK14 (0.60) MAPK14MAPTL3MBTL1
SCHEMBL4551615 0.78 PDE4B (0.45) MAPK14MAPTPDE4BPLAUBRAF

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 3 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