SCHEMBL24992458

SCHEMBL24992458

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

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 10/20 0.54
▸ AXL P30530 4/20 0.47
▸ NEK2 P51955 1/20 0.47
▸ EGFR P00533 3/20 0.47
▸ ALK Q9UM73 1/20 0.46
▸ TNK2 Q07912 1/20 0.45
▸ AURKA O14965 1/20 0.44
▸ AURKB Q96GD4 1/20 0.44
▸ MAP3K7 O43318 1/20 0.44
▸ JAK2 O60674 1/20 0.43

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
SCHEMBL24993662 0.94 MAPK9 (0.48) BRD4AXLEGFRALK
SCHEMBL24992488 0.93 EGFR (0.53) BRD4EGFRALK
SCHEMBL24993090 0.92 BRD4 (0.44) BRD4EGFRALK
SCHEMBL24993046 0.91 FLT3 (0.48) BRD4EGFRJAK2
SCHEMBL24993663 0.91 EGFR (0.48) BRD4EGFRJAK2
SCHEMBL24992472 0.91 BRD4 (0.55) BRD4AXLNEK2EGFRALK
SCHEMBL24992324 0.91 BRD4 (0.42) BRD4EGFRJAK2
SCHEMBL24992460 0.90 BRD4 (0.41) BRD4EGFRALKJAK2
SCHEMBL24992309 0.88 BRD4 (0.65) BRD4AXLNEK2EGFRALK
SCHEMBL24992306 0.88 EGFR (0.54) BRD4EGFRALK

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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