SCHEMBL1417048

SCHEMBL1417048

Cc1ccc(C(=O)NC2CC2)cc1-n1ncc(C(=O)c2cccc(CN3CCOCC3)c2)c1N.Cc1ccc(C(=O)NC2CC2)cc1-n1ncc(C(=O)c2cccc(OCc3ccccc3)c2)c1N

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.47
MAPK11 Q15759 1/20 0.46
KMT2A Q03164 2/20 0.45
RIPK2 O43353 1/20 0.44
MCHR1 Q99705 2/20 0.43
BTK Q06187 3/20 0.43
DRD4 P21917 2/20 0.42
TMEM97 Q5BJF2 1/20 0.42
ALDH1A1 P00352 1/20 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
SCHEMBL1385701 0.92 MAPK14 (0.49) MAPK14MAPK11KMT2ABTKDRD4
SCHEMBL1382984 0.91 MAPK14 (0.53) MAPK14MAPK11RIPK2ALDH1A1
SCHEMBL1417039 0.87 MAPK14 (0.63) MAPK14MAPK11
SCHEMBL1386501 0.85 MAPK14 (0.48) MAPK14MAPK11KMT2ABTK
SCHEMBL1384370 0.84 MAPK14 (0.52) MAPK14MAPK11KMT2ADRD4ALDH1A1
SCHEMBL1417180 0.83 MAPK14 (0.56) MAPK14MAPK11
SCHEMBL1416912 0.83 MAPK14 (0.50) MAPK14MAPK11
SCHEMBL1417219 0.82 HPGD (0.54) MAPK14MAPK11RIPK2
SCHEMBL5794081 0.82 MAPK14 (0.44) MAPK14MAPK11RIPK2BTKALDH1A1
SCHEMBL1417182 0.82 MAPK14 (0.52) MAPK14MAPK11

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2298743-A1 5-membered heterocycle-based P38 kinase inhibitors Novartis AG (CH) 2011-03-23 EP claimed