SCHEMBL5767348

SCHEMBL5767348

CC1(c2nc(-c3ccc(F)cc3)c(-c3ccnc(NCc4ccco4)n3)[nH]2)OCC(C(=O)Nc2ccccc2)CO1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.55
MAPK13 O15264 7/20 0.55
MAPK12 P53778 7/20 0.55
MAPK11 Q15759 7/20 0.55
GSK3B P49841 2/20 0.38
KCNH3 Q9ULD8 1/20 0.38

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
SCHEMBL7217798 0.79 MAPK14 (0.48) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6075400 0.79 MAPK14 (0.80) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6809563 0.77 MAPK14 (0.69) MAPK14MAPK13MAPK12MAPK11GSK3B
SCHEMBL6075673 0.76 MAPK14 (0.47) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5769609 0.75 MAPK14 (0.82) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6808788 0.75 MAPK14 (0.56) MAPK14MAPK13MAPK12MAPK11GSK3B
SCHEMBL5773002 0.75 MAPK14 (0.55) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5773346 0.75 MAPK14 (0.55) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5770008 0.74 MAPK14 (0.85) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5769916 0.73 MAPK14 (0.81) 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 1 patent. 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