SCHEMBL4551323

SCHEMBL4551323

Cc1ncc(NC(=O)c2cc(F)cc(N3CCCC3)c2)cc1C(=O)Nc1ccc(OCc2ccccn2)cc1

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.72
SMO Q99835 4/20 0.72
MAPK13 O15264 1/20 0.46
MAPK12 P53778 1/20 0.46
MAPK11 Q15759 1/20 0.46
MET P08581 2/20 0.45
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
MAPT P10636 4/20 0.42
ALDH1A1 P00352 2/20 0.42
ALOX15 P16050 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.42
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 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
SCHEMBL4551331 0.99 MAPK14 (0.71) MAPK14SMOMAPK13MAPK12MAPK11
SCHEMBL4411010 0.93 MAPK14 (0.73) MAPK14SMOMAPK13MAPK12MAPK11
SCHEMBL4551322 0.91 MAPK14 (0.61) MAPK14SMOMETHTR2AHTR2C
SCHEMBL4551884 0.90 MAPK14 (0.64) MAPK14SMOMETHTR2AHTR2C
SCHEMBL4551330 0.90 MAPK14 (0.60) MAPK14SMOMETHTR2AHTR2C
SCHEMBL4551753 0.90 MAPK14 (0.64) MAPK14SMOMETHTR2AHTR2C
SCHEMBL5490044 0.84 MAPK14 (0.74) MAPK14SMO
SCHEMBL14534470 0.83 MAPK14 (0.67) MAPK14SMOMAPK13MAPK12MAPK11
SCHEMBL4551883 0.83 MAPK14 (0.55) MAPK14SMOMETHTR2AHTR2C
SCHEMBL4551752 0.82 MAPK14 (0.54) MAPK14SMOMETHTR2AHTR2C

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