SCHEMBL5306366

SCHEMBL5306366

Cc1ccc(-n2ncc(C(C)(C)C)c2NC(=O)Nc2ccc(OCC(C)N3CCOCC3)c3ccccc23)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.55
TNF P01375 5/20 0.55
MAPK12 P53778 4/20 0.55
MAPK13 O15264 3/20 0.55
MAPK11 Q15759 3/20 0.55
HCK P08631 2/20 0.55
ABL1 P00519 2/20 0.55
RAF1 P04049 2/20 0.55
LYN P07948 2/20 0.55
SRC P12931 2/20 0.55
MAPK9 P45984 2/20 0.55
CIT O14578 1/20 0.55
MUSK O15146 1/20 0.55
MAP3K7 O43318 1/20 0.55
RIPK2 O43353 1/20 0.55
STK10 O94804 1/20 0.55
MAP4K4 O95819 1/20 0.55
CHEK2 O96017 1/20 0.55
EGFR P00533 1/20 0.55
NTRK1 P04629 1/20 0.55

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
SCHEMBL29593381 0.84 MAPK14 (0.76) MAPK14TNFMAPK12MAPK13MAPK11
SCHEMBL296487 0.84 MAPK14 (0.76) MAPK14TNFMAPK12MAPK13MAPK11
SCHEMBL20876925 0.84 MAPK14 (0.76) MAPK14TNFMAPK12MAPK13MAPK11
SCHEMBL6735307 0.80 ABL1 (0.56) MAPK14TNFMAPK12MAPK13MAPK11
SCHEMBL6732717 0.78 ABL1 (0.74) MAPK14TNFMAPK12MAPK13MAPK11
SCHEMBL6302094 0.78 TNF (0.73) MAPK14TNFMAPK12MAPK13MAPK11
SCHEMBL6302092 0.78 TNF (0.73) MAPK14TNFMAPK12MAPK13MAPK11
SCHEMBL7968631 0.78 MAPK14 (0.48) MAPK14TNFMAPK12MAPK13MAPK11
SCHEMBL6807988 0.78 ABL1 (0.51) MAPK14TNFMAPK12MAPK13MAPK11
SCHEMBL6807983 0.78 ABL1 (0.61) MAPK14TNFMAPK12MAPK13MAPK11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1784224-A2 EGFR KINASE INHIBITOR COMBINATIONS FOR TREATING RESPIRATORY AND GASTROINTESTINAL DISORDERS Boehringer Ingelheim International GmbH (DE) 2007-05-16 EP disclosed
WO-2006015775-A2 EGFR KINASE INHIBITOR COMBINATIONS FOR TREATING RESPIRATORY AND GASTROINTESTINAL DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-02-16 WO disclosed