SCHEMBL5769932

SCHEMBL5769932

CC1(N(S)C(=O)Nc2cccnc2)COC(c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)OC1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 11/20 0.58
MAPK12 P53778 11/20 0.58
MAPK11 Q15759 11/20 0.58
MAPK14 Q16539 11/20 0.58
SOAT1 P35610 1/20 0.42
CSNK1A1 P48729 1/20 0.42
CSNK1D P48730 1/20 0.42
RPS6KA3 P51812 1/20 0.42
RAF1 P04049 2/20 0.41
MAPK9 P45984 2/20 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
SCHEMBL5770594 0.89 MAPK13 (0.56) MAPK13MAPK12MAPK11MAPK14SOAT1
SCHEMBL6813458 0.84 MAPK13 (0.62) MAPK13MAPK12MAPK11MAPK14SOAT1
SCHEMBL5769927 0.83 MAPK13 (0.66) MAPK13MAPK12MAPK11MAPK14SOAT1
SCHEMBL5770592 0.80 MAPK13 (0.54) MAPK13MAPK12MAPK11MAPK14SOAT1
SCHEMBL5770993 0.80 MAPK14 (0.54) MAPK13MAPK12MAPK11MAPK14CSNK1A1
SCHEMBL5770916 0.79 MAPK13 (0.63) MAPK13MAPK12MAPK11MAPK14SOAT1
SCHEMBL5770200 0.78 MAPK13 (0.63) MAPK13MAPK12MAPK11MAPK14SOAT1
SCHEMBL5773031 0.78 MAPK13 (0.71) MAPK13MAPK12MAPK11MAPK14SOAT1
SCHEMBL5767956 0.78 MAPK13 (0.79) MAPK13MAPK12MAPK11MAPK14SOAT1
SCHEMBL5773271 0.77 MAPK13 (0.70) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6989395-B2 Imidazolyl-cyclic acetals AVENTIS PHARMA LIMITED (GB) 2006-01-24 US claimed
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