SCHEMBL7215418

SCHEMBL7215418

CC1(n2cccc2)COC(c2nc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)OC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 10/20 0.62
MAPK12 P53778 10/20 0.62
MAPK11 Q15759 10/20 0.62
MAPK14 Q16539 10/20 0.62
SOAT1 P35610 2/20 0.54
CSNK1A1 P48729 2/20 0.53
CSNK1D P48730 2/20 0.53
RPS6KA3 P51812 1/20 0.53
MAPK9 P45984 4/20 0.52
RAF1 P04049 3/20 0.52
GCGR P47871 2/20 0.46
PRKD3 O94806 1/20 0.46
MAP4K4 O95819 1/20 0.46
FRK P42685 1/20 0.46
GSK3B P49841 1/20 0.46
PTK6 Q13882 1/20 0.46
PRKD2 Q9BZL6 1/20 0.46
CLK4 Q9HAZ1 1/20 0.46
ALOX5 P09917 1/20 0.45
BRAF P15056 1/20 0.45

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
SCHEMBL5769910 1.00 MAPK13 (0.62) MAPK13MAPK12MAPK11MAPK14SOAT1
SCHEMBL5770995 0.86 SOAT1 (0.68) MAPK13MAPK12MAPK11MAPK14SOAT1
SCHEMBL8104857 0.84 MAPK13 (0.73) MAPK13MAPK12MAPK11MAPK14SOAT1
SCHEMBL5772456 0.84 MAPK13 (0.65) MAPK13MAPK12MAPK11MAPK14SOAT1
SCHEMBL5768771 0.84 MAPK13 (0.65) MAPK13MAPK12MAPK11MAPK14SOAT1
SCHEMBL5769076 0.82 MAPK14 (0.64) MAPK13MAPK12MAPK11MAPK14SOAT1
SCHEMBL5769272 0.82 MAPK13 (0.61) MAPK13MAPK12MAPK11MAPK14SOAT1
SCHEMBL5771323 0.82 MAPK13 (0.61) MAPK13MAPK12MAPK11MAPK14SOAT1
SCHEMBL5797741 0.81 SOAT1 (0.70) MAPK13MAPK12MAPK11MAPK14SOAT1
SCHEMBL5769642 0.81 MAPK13 (0.74) 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 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