SCHEMBL4411010

SCHEMBL4411010

Cc1ncc(NC(=O)c2cc(F)cc(N3CCOCC3)c2)cc1C(=O)Nc1ccc(OCc2ccccn2)cc1

nearest known ligand 0.73

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 17/20 0.73
SMO Q99835 3/20 0.63
MAPK13 O15264 1/20 0.54
MAPK12 P53778 1/20 0.54
MAPK11 Q15759 1/20 0.54
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
DGAT1 O75907 2/20 0.46

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
SCHEMBL4551323 0.93 MAPK14 (0.72) MAPK14SMOMAPK13MAPK12MAPK11
SCHEMBL4551331 0.93 MAPK14 (0.71) MAPK14SMOMAPK13MAPK12MAPK11
SCHEMBL5490044 0.91 MAPK14 (0.74) MAPK14SMO
SCHEMBL14534470 0.90 MAPK14 (0.67) MAPK14SMOMAPK13MAPK12MAPK11
SCHEMBL5481697 0.88 MAPK14 (0.71) MAPK14SMOMAPK13MAPK12MAPK11
SCHEMBL4418530 0.88 MAPK14 (0.61) MAPK14SMOMAPK13MAPK12MAPK11
SCHEMBL4551497 0.87 MAPK14 (0.60) MAPK14SMOMAPK13MAPK12MAPK11
SCHEMBL5481692 0.86 MAPK14 (0.77) MAPK14SMOMAPK13MAPK12MAPK11
SCHEMBL4409060 0.86 MAPK14 (0.54) MAPK14MAPK13MAPK12MAPK11MEN1
SCHEMBL4551653 0.85 DDR2 (0.55) MAPK14MAPK13MAPK12MAPK11

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