SCHEMBL4551753

SCHEMBL4551753

Cc1ncc(NC(=O)c2cc(N3CCCCC3)cc(C(F)(F)F)c2)cc1C(=O)Nc1ccc(OCc2ccccn2)cc1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.64
SMO Q99835 3/20 0.58
RHOA P61586 1/20 0.46
HTR2A P28223 3/20 0.46
HTR2C P28335 3/20 0.46
HTR2B P41595 3/20 0.46
RAF1 P04049 4/20 0.46
BRAF P15056 3/20 0.44
MET P08581 1/20 0.43
CSF1R P07333 1/20 0.43
LYN P07948 1/20 0.43
LCK P06239 1/20 0.42
KDR P35968 1/20 0.42
TEK Q02763 1/20 0.42
SCN10A Q9Y5Y9 1/20 0.41
NR3C1 P04150 1/20 0.41
MAPT P10636 2/20 0.41

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
SCHEMBL4551884 0.99 MAPK14 (0.64) MAPK14SMORHOAHTR2AHTR2C
SCHEMBL5490044 0.93 MAPK14 (0.74) MAPK14SMORAF1BRAFCSF1R
SCHEMBL4551752 0.91 MAPK14 (0.54) MAPK14SMORHOAHTR2AHTR2C
SCHEMBL4551883 0.91 MAPK14 (0.55) MAPK14SMORHOAHTR2AHTR2C
SCHEMBL4551331 0.90 MAPK14 (0.71) MAPK14SMOHTR2AHTR2CHTR2B
SCHEMBL4551323 0.90 MAPK14 (0.72) MAPK14SMOHTR2AHTR2CHTR2B
SCHEMBL4411010 0.83 MAPK14 (0.73) MAPK14SMO
SCHEMBL4551330 0.83 MAPK14 (0.60) MAPK14SMOHTR2AHTR2CHTR2B
SCHEMBL4551322 0.82 MAPK14 (0.61) MAPK14SMOHTR2AHTR2CHTR2B
SCHEMBL5496963 0.79 MAPK14 (0.44) MAPK14SMOMAPT

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