SCHEMBL5771467

SCHEMBL5771467

CN(C)c1nccc(-c2[nH]c(C3OCC(CO)CO3)nc2-c2ccc(F)cc2)n1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.53
MAPK13 O15264 10/20 0.53
MAPK12 P53778 10/20 0.53
MAPK11 Q15759 10/20 0.53
CSNK1D P48730 2/20 0.41
JAK3 P52333 1/20 0.41
CSNK1A1 P48729 1/20 0.39
RPS6KA3 P51812 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
SCHEMBL5770170 0.91 MAPK14 (0.50) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL6075383 0.87 MAPK14 (0.49) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL5772998 0.87 MAPK14 (0.48) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL5769405 0.86 MAPK14 (0.56) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL5771209 0.86 MAPK14 (0.49) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL5771542 0.86 MAPK14 (0.56) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL5768923 0.85 MAPK13 (0.50) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL5768694 0.85 MAPK13 (0.57) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5770808 0.85 MAPK14 (0.48) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5769948 0.84 MAPK14 (0.49) MAPK14MAPK13MAPK12MAPK11CSNK1D

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 2 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-6602877-B1 Imidazolyl-cyclic acetals AVENTIS PHARMA LIMITED (GB) 2003-08-05 US disclosed