SCHEMBL24993673

SCHEMBL24993673

CCc1cc(Nc2nccc(Nc3ccc4c(c3N(C)S(C)(=O)=O)OCCO4)n2)c(OC)cc1N1CCN(C)CC1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 16/20 0.48
▸ ALK Q9UM73 1/20 0.41
▸ MAP4K1 Q92918 2/20 0.40
▸ JAK2 O60674 1/20 0.40
▸ JAK3 P52333 1/20 0.40
▸ PTK2 Q05397 1/20 0.40

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
SCHEMBL24993179 0.90 EGFR (0.55) EGFRJAK2PTK2
SCHEMBL24993676 0.88 EGFR (0.54) EGFRMAP4K1JAK2PTK2
SCHEMBL24992306 0.88 EGFR (0.54) EGFRALK
SCHEMBL24993045 0.87 JAK2 (0.45) EGFRJAK2JAK3PTK2
SCHEMBL24993075 0.87 EGFR (0.53) EGFRJAK2PTK2
SCHEMBL24993180 0.87 EGFR (0.53) EGFRJAK2PTK2
SCHEMBL24993675 0.86 EGFR (0.53) EGFRALKMAP4K1
SCHEMBL24992317 0.84 PTK2 (0.49) EGFRALKMAP4K1PTK2
SCHEMBL30014786 0.82 EGFR (0.69) EGFRJAK2PTK2
SCHEMBL24993667 0.82 EGFR (0.53) EGFRALKJAK2PTK2

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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