SCHEMBL7220995

SCHEMBL7220995

CC1(CC(=O)Nc2cccnc2)COC(c2nc(-c3ccc(F)cc3)c(-c3ccnc(OCc4ccccc4)n3)[nH]2)OC1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 9/20 0.48
MAPK12 P53778 9/20 0.48
MAPK11 Q15759 9/20 0.48
MAPK14 Q16539 9/20 0.48
SOAT1 P35610 1/20 0.42
LRRK2 Q5S007 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
SCHEMBL5773647 0.92 MAPK13 (0.55) MAPK13MAPK12MAPK11MAPK14SOAT1
SCHEMBL7222196 0.91 MAPK14 (0.52) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5770554 0.86 MAPK14 (0.59) MAPK13MAPK12MAPK11MAPK14SOAT1
SCHEMBL5770578 0.84 MAPK13 (0.51) MAPK13MAPK12MAPK11MAPK14SOAT1
SCHEMBL5769853 0.84 MAPK14 (0.52) MAPK13MAPK12MAPK11MAPK14SOAT1
SCHEMBL5769817 0.84 MAPK14 (0.57) MAPK13MAPK12MAPK11MAPK14SOAT1
SCHEMBL5768059 0.84 MAPK14 (0.53) MAPK13MAPK12MAPK11MAPK14SOAT1
SCHEMBL5769100 0.84 MAPK14 (0.58) MAPK13MAPK12MAPK11MAPK14SOAT1
SCHEMBL7222181 0.83 MAPK13 (0.48) MAPK13MAPK12MAPK11MAPK14SOAT1
SCHEMBL5769147 0.83 MAPK14 (0.54) MAPK13MAPK12MAPK11MAPK14

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