SCHEMBL5771048

SCHEMBL5771048

OCC1COC(c2nc(-c3ccc(F)cc3)c(-c3ccnc(NC4CCNCC4)n3)[nH]2)OC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 10/20 0.52
MAPK13 O15264 8/20 0.52
MAPK12 P53778 8/20 0.52
MAPK11 Q15759 8/20 0.52
MAPK9 P45984 2/20 0.51
PRKD3 O94806 1/20 0.51
MAP4K4 O95819 1/20 0.51
MAPK1 P28482 1/20 0.51
MAPK8 P45983 1/20 0.51
CSNK1A1 P48729 1/20 0.51
CLK2 P49760 1/20 0.51
GSK3A P49840 1/20 0.51
GSK3B P49841 1/20 0.51
CSNK1G2 P78368 1/20 0.51
TAOK1 Q7L7X3 1/20 0.51
MINK1 Q8N4C8 1/20 0.51
AURKB Q96GD4 1/20 0.51
PRKD2 Q9BZL6 1/20 0.51
HIPK2 Q9H2X6 1/20 0.51
CSNK1G1 Q9HCP0 1/20 0.51

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
SCHEMBL5770404 0.96 MAPK14 (0.54) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL5768099 0.93 MAPK14 (0.52) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL5769432 0.88 MAPK9 (0.54) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL5774335 0.87 MAPK14 (0.57) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL5771542 0.87 MAPK14 (0.56) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL5771163 0.86 MAPK9 (0.53) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL5768978 0.86 MAPK14 (0.53) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5771658 0.85 MAPK14 (0.57) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL5794396 0.85 MAPK14 (0.56) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL5773414 0.85 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100443481-C Imidazolyl-cyclic acetals RHONE POULENC RORER LTD (GB) 2008-12-17 CN 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
CN-1273584-A Imidazolyl-cyclic acetals RHONE POULENC RORER LTD (GB) 2000-11-15 CN disclosed