SCHEMBL29593176

SCHEMBL29593176

C[C@H](CC(C)(C)O)Nc1ncc2cc(Oc3ccc(F)cc3F)c(=O)n(C)c2n1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 13/20 0.78
▸ MAPK8 P45983 11/20 0.78
▸ MAPK11 Q15759 4/20 0.76
▸ MAPK9 P45984 3/20 0.76
▸ MAPK10 P53779 3/20 0.76
▸ RPS6KA4 O75676 2/20 0.73
▸ RPS6KA3 P51812 2/20 0.73
▸ NLK Q9UBE8 2/20 0.73
▸ CSNK1E P49674 1/20 0.73
▸ MAPK13 O15264 1/20 0.71
▸ MAPK12 P53778 1/20 0.71
▸ GAK O14976 1/20 0.59
▸ PRKD3 O94806 1/20 0.59
▸ MAP4K4 O95819 1/20 0.59
▸ MAPK1 P28482 1/20 0.59
▸ CSNK1D P48730 1/20 0.59
▸ DDR1 Q08345 1/20 0.59
▸ TAOK1 Q7L7X3 1/20 0.59
▸ COQ8A Q8NI60 1/20 0.59
▸ PRKD2 Q9BZL6 1/20 0.59

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
SCHEMBL5113603 1.00 MAPK14 (0.78) MAPK14MAPK8MAPK11MAPK9MAPK10
SCHEMBL5120939 1.00 MAPK14 (0.78) MAPK14MAPK8MAPK11MAPK9MAPK10
SCHEMBL29594231 1.00 MAPK14 (0.78) MAPK14MAPK8MAPK11MAPK9MAPK10
SCHEMBL29594238 1.00 MAPK14 (0.78) MAPK14MAPK8MAPK11MAPK9MAPK10
SCHEMBL5120288 1.00 MAPK14 (0.78) MAPK14MAPK8MAPK11MAPK9MAPK10
SCHEMBL13239778 0.91 MAPK14 (0.84) MAPK14MAPK8MAPK11MAPK9MAPK10
SCHEMBL13239775 0.91 MAPK14 (0.84) MAPK14MAPK8MAPK11MAPK9MAPK10
SCHEMBL20875281 0.90 MAPK14 (0.79) MAPK14MAPK8MAPK11MAPK9MAPK10
SCHEMBL5121153 0.90 MAPK14 (0.79) MAPK14MAPK8MAPK11MAPK9MAPK10
SCHEMBL14014949 0.90 MAPK14 (0.79) MAPK14MAPK8MAPK11MAPK9MAPK10

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
CN-114748622-B P38 kinase inhibitors reduce DUX4 and downstream gene expression and treat FSHD 弗尔康医疗公司 2024-09-24 — — CN disclosed
CN-114732910-B P38 kinase inhibitors reduce DUX4 and downstream gene expression and treat FSHD 弗尔康医疗公司 2024-08-23 — — CN disclosed
CN-114748622-A P38 kinase inhibitors reduce DUX4 and downstream gene expression for the treatment of FSHD 弗尔康医疗公司 2022-07-15 — — CN disclosed
CN-114732910-A P38 kinase inhibitor reduces DUX4 and downstream gene expression for treatment of FSHD 弗尔康医疗公司 2022-07-12 — — CN disclosed
CN-111601593-B P38 kinase inhibitor reduces DUX4 and downstream gene expression for treatment of FSHD 弗尔康医疗公司 2022-04-15 — — CN disclosed
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