SCHEMBL24993663

SCHEMBL24993663

CCc1cc(Nc2ncc(Br)c(Nc3ccc4c(c3N(C)S(C)(=O)=O)OCCO4)n2)ccc1N1CCN(C)CC1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 17/20 0.48
▸ BRD4 O60885 2/20 0.43
▸ JAK2 O60674 1/20 0.42
▸ JAK3 P52333 1/20 0.42

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
SCHEMBL24992453 0.93 EGFR (0.54) EGFRJAK2
SCHEMBL24993060 0.92 EGFR (0.47) EGFRBRD4
SCHEMBL24993046 0.91 FLT3 (0.48) EGFRBRD4JAK2JAK3
SCHEMBL24992458 0.91 BRD4 (0.54) EGFRBRD4JAK2
SCHEMBL24992460 0.91 BRD4 (0.41) EGFRBRD4JAK2
SCHEMBL24992324 0.91 BRD4 (0.42) EGFRBRD4JAK2
SCHEMBL24993045 0.87 JAK2 (0.45) EGFRBRD4JAK2JAK3
SCHEMBL24992488 0.85 EGFR (0.53) EGFRBRD4
SCHEMBL24993662 0.85 MAPK9 (0.48) EGFRBRD4
SCHEMBL24993664 0.84 EGFR (0.41) EGFRJAK2

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
WO-2023011610-A1 BENZODIOXANE COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 南京红云生物科技有限公司 2023-02-09 — — WO disclosed
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