SCHEMBL5771144

SCHEMBL5771144

CC(C)Oc1nccc(-c2[nH]c(C3OCC(C)(C(=O)Nc4ccncc4)CO3)nc2-c2ccc(F)cc2)n1

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.57
MAPK13 O15264 11/20 0.57
MAPK12 P53778 11/20 0.57
MAPK11 Q15759 11/20 0.57

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
SCHEMBL5770460 0.94 MAPK13 (0.57) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5771118 0.92 MAPK14 (0.61) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5772055 0.92 MAPK13 (0.54) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5769940 0.90 MAPK14 (0.61) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5768877 0.90 MAPK14 (0.60) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5770806 0.90 MAPK14 (0.63) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5773140 0.89 MAPK14 (0.59) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5769379 0.89 MAPK14 (0.62) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5770589 0.89 MAPK14 (0.66) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5772391 0.88 MAPK14 (0.56) MAPK14MAPK13MAPK12MAPK11

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-1724264-A1 NITRILES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2006-11-22 EP disclosed
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