SCHEMBL5770604

SCHEMBL5770604

COc1ccc(Nc2nccc(-c3[nH]c(C4OCC(C)(N)CO4)nc3-c3ccc(F)cc3)n2)cc1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 7/20 0.54
MAPK12 P53778 7/20 0.54
MAPK11 Q15759 7/20 0.54
MAPK14 Q16539 7/20 0.54
PIK3CA P42336 3/20 0.44
PIK3CG P48736 3/20 0.44
PIK3CB P42338 2/20 0.43
IKBKB O14920 2/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 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
SCHEMBL5770468 0.94 MAPK13 (0.57) MAPK13MAPK12MAPK11MAPK14PIK3CA
SCHEMBL5770071 0.90 MAPK14 (0.57) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5769033 0.90 MAPK14 (0.55) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5770910 0.89 MAPK14 (0.59) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5768000 0.88 MAPK14 (0.49) MAPK13MAPK12MAPK11MAPK14PIK3CA
SCHEMBL5770039 0.88 MAPK13 (0.53) MAPK13MAPK12MAPK11MAPK14
SCHEMBL6075264 0.87 MAPK13 (0.59) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5769585 0.86 MAPK13 (0.54) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5769184 0.85 MAPK14 (0.59) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5770869 0.85 MAPK13 (0.57) MAPK13MAPK12MAPK11MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0988301-B1 IMIDAZOLYL-CYCLIC ACETALS AVENTIS PHARMA LTD (GB) 2006-08-09 EP disclosed
US-6989395-B2 Imidazolyl-cyclic acetals AVENTIS PHARMA LIMITED (GB) 2006-01-24 US disclosed
US-6602877-B1 Imidazolyl-cyclic acetals AVENTIS PHARMA LIMITED (GB) 2003-08-05 US disclosed
EP-0988301-A1 IMIDAZOLYL-CYCLIC ACETALS RHONE-POULENC RORER LIMITED (GB) 2000-03-29 EP disclosed
WO-1998056788-A1 IMIDAZOLYL-CYCLIC ACETALS RHONE-POULENC RORER LIMITED (GB) 1998-12-17 WO disclosed