SCHEMBL5770977

SCHEMBL5770977

CC1(CNS(C)(=O)=O)COC(c2nc(-c3ccc(F)cc3)c(-c3ccnc(NCCCN4CC=NC4)n3)[nH]2)OC1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 8/20 0.54
MAPK12 P53778 8/20 0.54
MAPK11 Q15759 8/20 0.54
MAPK14 Q16539 8/20 0.54
BRAF P15056 5/20 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
SCHEMBL5769468 0.90 MAPK13 (0.59) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5770972 0.90 MAPK13 (0.54) MAPK13MAPK12MAPK11MAPK14BRAF
SCHEMBL5771011 0.90 MAPK13 (0.55) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5770908 0.89 MAPK13 (0.56) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5772601 0.89 MAPK13 (0.58) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5768953 0.89 MAPK13 (0.59) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5772234 0.88 MAPK13 (0.57) MAPK13MAPK12MAPK11MAPK14BRAF
SCHEMBL5769997 0.87 MAPK13 (0.62) MAPK13MAPK12MAPK11MAPK14BRAF
SCHEMBL5770963 0.87 MAPK13 (0.54) MAPK13MAPK12MAPK11MAPK14BRAF
SCHEMBL5768344 0.87 MAPK13 (0.58) 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 3 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