SCHEMBL4551497

SCHEMBL4551497

COc1cc(COc2ccc(NC(=O)c3cc(NC(=O)c4cc(F)cc(N5CCOCC5)c4)cnc3C)cc2)cc(OC)c1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 15/20 0.60
MAPK13 O15264 1/20 0.52
MAPK12 P53778 1/20 0.52
MAPK11 Q15759 1/20 0.52
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
SMO Q99835 1/20 0.46
LCK P06239 1/20 0.46
KDR P35968 1/20 0.46
RAF1 P04049 1/20 0.46
PLAU P00749 1/20 0.46
CSF1R P07333 1/20 0.45
DAPK1 P53355 1/20 0.45
MAPT P10636 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
SCHEMBL4409060 0.92 MAPK14 (0.54) MAPK14MAPK13MAPK12MAPK11MEN1
SCHEMBL4551496 0.91 MAPK14 (0.51) MAPK14MAPK13MAPK12MAPK11MEN1
SCHEMBL4418530 0.89 MAPK14 (0.61) MAPK14MAPK13MAPK12MAPK11MEN1
SCHEMBL4417663 0.88 MAPK14 (0.59) MAPK14MAPK13MAPK12MAPK11MEN1
SCHEMBL4411010 0.87 MAPK14 (0.73) MAPK14MAPK13MAPK12MAPK11MEN1
SCHEMBL4551653 0.86 DDR2 (0.55) MAPK14MAPK13MAPK12MAPK11KDR
SCHEMBL5484374 0.84 MAPK14 (0.51) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL4727385 0.81 RAF1 (0.56) MAPK14RAF1
SCHEMBL4551755 0.81 PLAU (0.48) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL4728270 0.81 MAPK14 (0.51) MAPK14RAF1

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