SCHEMBL5769461

SCHEMBL5769461

CC(=O)NCC1(C)COC(c2nc(-c3ccc(F)cc3)c(-c3ccnc(NCCCN4CCNC4)n3)[nH]2)OC1

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 12/20 0.59
MAPK12 P53778 12/20 0.59
MAPK11 Q15759 12/20 0.59
MAPK14 Q16539 12/20 0.59
SOAT1 P35610 1/20 0.39

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
SCHEMBL5768335 0.92 MAPK13 (0.58) MAPK13MAPK12MAPK11MAPK14SOAT1
SCHEMBL5771655 0.91 MAPK13 (0.60) MAPK13MAPK12MAPK11MAPK14SOAT1
SCHEMBL5772171 0.91 MAPK13 (0.55) MAPK13MAPK12MAPK11MAPK14SOAT1
SCHEMBL5772593 0.91 MAPK13 (0.58) MAPK13MAPK12MAPK11MAPK14SOAT1
SCHEMBL5770972 0.90 MAPK13 (0.54) MAPK13MAPK12MAPK11MAPK14SOAT1
SCHEMBL5769468 0.90 MAPK13 (0.59) MAPK13MAPK12MAPK11MAPK14SOAT1
SCHEMBL5769988 0.90 MAPK13 (0.64) MAPK13MAPK12MAPK11MAPK14SOAT1
SCHEMBL5772331 0.89 MAPK13 (0.63) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5768495 0.88 MAPK13 (0.66) MAPK13MAPK12MAPK11MAPK14SOAT1
SCHEMBL5773619 0.88 MAPK13 (0.76) 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