SCHEMBL4418530

SCHEMBL4418530

Cc1ncc(NC(=O)c2cc(F)cc(N3CCOCC3)c2)cc1C(=O)Nc1ccc(OCc2cccnc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 13/20 0.61
MAPK13 O15264 1/20 0.61
MAPK12 P53778 1/20 0.61
MAPK11 Q15759 1/20 0.61
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
TP53 P04637 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
SMO Q99835 1/20 0.48
DGAT1 O75907 1/20 0.47
POLB P06746 1/20 0.46
RAF1 P04049 1/20 0.46
RAB9A P51151 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
SCHEMBL4551497 0.89 MAPK14 (0.60) MAPK14MAPK13MAPK12MAPK11MEN1
SCHEMBL4411010 0.88 MAPK14 (0.73) MAPK14MAPK13MAPK12MAPK11MEN1
SCHEMBL4417663 0.86 MAPK14 (0.59) MAPK14MAPK13MAPK12MAPK11MEN1
SCHEMBL4409060 0.85 MAPK14 (0.54) MAPK14MAPK13MAPK12MAPK11MEN1
SCHEMBL4551653 0.84 DDR2 (0.55) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL6079594 0.81 MAPK14 (0.76) MAPK14MAPK13MAPK12MAPK11TP53
SCHEMBL4551323 0.81 MAPK14 (0.72) MAPK14MAPK13MAPK12MAPK11KMT2A
SCHEMBL4551496 0.80 MAPK14 (0.51) MAPK14MAPK13MAPK12MAPK11MEN1
SCHEMBL4551331 0.80 MAPK14 (0.71) MAPK14MAPK13MAPK12MAPK11KMT2A
SCHEMBL4727303 0.79 MAPK14 (0.52) MAPK14MAPK13MAPK12MAPK11RAF1

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