SCHEMBL5771320

SCHEMBL5771320

CC1(C(=O)OCC#N)COC(C(N)=O)(c2nc(-c3ccc(F)cc3)c(-c3ccnc(NC4CCCCC4)n3)[nH]2)OC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 10/20 0.45
MAPK13 O15264 7/20 0.42
MAPK12 P53778 7/20 0.42
MAPK11 Q15759 7/20 0.42
PRKD3 O94806 1/20 0.37
MAP4K4 O95819 1/20 0.37
CDK2 P24941 1/20 0.37
MAPK1 P28482 1/20 0.37
MAPK8 P45983 1/20 0.37
MAPK9 P45984 1/20 0.37
CSNK1A1 P48729 1/20 0.37
CSNK1D P48730 1/20 0.37
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
CSNK1G2 P78368 1/20 0.37
TAOK1 Q7L7X3 1/20 0.37
MINK1 Q8N4C8 1/20 0.37
PRKD2 Q9BZL6 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
CSNK1G1 Q9HCP0 1/20 0.37

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
SCHEMBL5772414 0.97 MAPK14 (0.48) MAPK14MAPK13MAPK12MAPK11PRKD3
SCHEMBL5770487 0.94 MAPK14 (0.44) MAPK14MAPK13MAPK12MAPK11PRKD3
SCHEMBL5770435 0.91 MAPK14 (0.46) MAPK14MAPK13MAPK12MAPK11PRKD3
SCHEMBL5771199 0.90 MAPK14 (0.42) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5772901 0.89 MAPK14 (0.42) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5773807 0.89 MAPK14 (0.44) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5770867 0.89 MAPK14 (0.54) MAPK14MAPK13MAPK12MAPK11PRKD3
SCHEMBL5770611 0.89 MAPK14 (0.41) MAPK14MAPK13MAPK12MAPK11CDK2
SCHEMBL5770863 0.88 MAPK14 (0.44) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL5770099 0.88 MAPK14 (0.45) MAPK14MAPK13MAPK12MAPK11PRKD3

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