SCHEMBL31029951

SCHEMBL31029951

FC(F)(F)c1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1

nearest known ligand 0.89

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPK13 O15264 13/20 0.89
▸ MAPK12 P53778 13/20 0.89
▸ MAPK11 Q15759 13/20 0.89
▸ MAPK14 Q16539 13/20 0.89
▸ RAF1 P04049 7/20 0.89
▸ MAPK9 P45984 2/20 0.69
▸ GCGR P47871 6/20 0.65
▸ ALOX5 P09917 1/20 0.65
▸ BRAF P15056 2/20 0.61
▸ NOX1 Q9Y5S8 1/20 0.60
▸ TP53 P04637 1/20 0.57
▸ MAPT P10636 1/20 0.57
▸ DGAT1 O75907 1/20 0.57
▸ KCNH2 Q12809 1/20 0.57

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
SCHEMBL6464525 0.94 MAPK13 (1.00) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL67984 0.88 MAPK13 (0.89) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL5074753 0.87 MAPK13 (0.83) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL6469444 0.86 MAPK13 (0.68) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL31029950 0.85 MAPK14 (0.78) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL16667652 0.85 MAPK13 (0.83) MAPK13MAPK12MAPK11MAPK14RAF1
Benzene SCHEMBL28852698 0.85 MAPK13 (0.82) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL104130 0.85 MAPK13 (0.82) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL23437865 0.83 MAPK13 (0.64) MAPK13MAPK12MAPK11MAPK14RAF1
Methane SCHEMBL3278320 0.83 MAPK13 (0.79) MAPK13MAPK12MAPK11MAPK14RAF1

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
CN-118440005-A Trisubstituted arylamine imidazole compound and preparation method and application thereof 华中科技大学 2024-08-06 — — CN disclosed
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