SCHEMBL5226965

SCHEMBL5226965

CCCCCn1c(-c2c(C)cc(C)cc2C)nc(-c2ccncc2)c1-c1ccc(C)cc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TEK Q02763 2/20 0.43
MAPK14 Q16539 9/20 0.42
MAPK13 O15264 7/20 0.42
MAPK12 P53778 7/20 0.42
MAPK11 Q15759 7/20 0.42
RIPK3 Q9Y572 1/20 0.39
NSD3 Q9BZ95 1/20 0.39
TP53 P04637 1/20 0.37
TLR8 Q9NR97 3/20 0.37
GCGR P47871 2/20 0.36
CRHR1 P34998 1/20 0.35

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
SCHEMBL5260109 0.92 TEK (0.41) TEKMAPK14MAPK13MAPK12MAPK11
SCHEMBL5194635 0.92 MAPK14 (0.50) TEKMAPK14MAPK13MAPK12MAPK11
SCHEMBL5185055 0.87 TEK (0.48) TEKMAPK14MAPK13MAPK12MAPK11
SCHEMBL31026230 0.82 TSHR (0.48) TP53CRHR1
SCHEMBL5196834 0.81 NPSR1 (0.43) TEKMAPK14MAPK13MAPK12MAPK11
SCHEMBL5194905 0.80 MAPK14 (0.50) TEKMAPK14MAPK13MAPK12MAPK11
SCHEMBL5196919 0.79 MAPK14 (0.52) TEKMAPK14MAPK13MAPK12MAPK11
SCHEMBL5197084 0.79 TEK (0.46) TEKMAPK14MAPK13MAPK12MAPK11
SCHEMBL5194356 0.79 MAPK14 (0.42) TEKMAPK14MAPK13MAPK12MAPK11
SCHEMBL5197308 0.78 TEK (0.45) TEKMAPK14MAPK13MAPK12MAPK11

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-1846389-A1 IMIDAZOLE DERIVATIVES F. Hoffmann-Roche AG (CH) 2007-10-24 EP disclosed
WO-2006082002-A1 IMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-08-10 WO disclosed