SCHEMBL5771519

SCHEMBL5771519

OCC1COC(c2nc(-c3ccc(F)cc3)c(-c3ccnc(NCCCN4CCOCC4)n3)[nH]2)OC1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 9/20 0.52
MAPK12 P53778 9/20 0.52
MAPK11 Q15759 9/20 0.52
MAPK14 Q16539 9/20 0.52
CDK4 P11802 1/20 0.44
GSK3B P49841 1/20 0.44
EIF2AK2 P19525 1/20 0.42
SOAT1 P35610 1/20 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
SCHEMBL5766657 0.90 MAPK13 (0.54) MAPK13MAPK12MAPK11MAPK14CDK4
SCHEMBL5769739 0.90 MAPK14 (0.51) MAPK13MAPK12MAPK11MAPK14SOAT1
SCHEMBL5769751 0.88 MAPK14 (0.51) MAPK13MAPK12MAPK11MAPK14SOAT1
SCHEMBL5770562 0.88 MAPK14 (0.58) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5771702 0.88 MAPK13 (0.52) MAPK13MAPK12MAPK11MAPK14CDK4
SCHEMBL5768594 0.88 MAPK13 (0.59) MAPK13MAPK12MAPK11MAPK14SOAT1
SCHEMBL5772849 0.87 MAPK13 (0.60) MAPK13MAPK12MAPK11MAPK14SOAT1
SCHEMBL5769746 0.87 MAPK14 (0.51) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5773414 0.86 MAPK14 (0.56) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5773466 0.86 MAPK13 (0.59) MAPK13MAPK12MAPK11MAPK14SOAT1

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