SCHEMBL24992323

SCHEMBL24992323

COc1cc(N2CCC(O)CC2)ccc1Nc1ncc(Br)c(Nc2ccc3c(c2N(C)S(C)(=O)=O)OCCO3)n1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 5/20 0.56
▸ PLK1 P53350 2/20 0.55
▸ ULK1 O75385 3/20 0.54
▸ EGFR P00533 8/20 0.51
▸ INSR P06213 2/20 0.50
▸ MET P08581 1/20 0.50
▸ IGF1R P08069 1/20 0.50
▸ ZAP70 P43403 2/20 0.49
▸ LRRK2 Q5S007 1/20 0.47

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
SCHEMBL24992441 0.96 ALK (0.51) ALKPLK1ULK1EGFRMET
SCHEMBL24992322 0.91 ALK (0.57) ALKPLK1ULK1EGFRINSR
SCHEMBL24993233 0.91 ALK (0.50) ALKEGFRINSRMETIGF1R
SCHEMBL24992280 0.90 EGFR (0.64) ALKPLK1ULK1EGFRINSR
SCHEMBL24993661 0.87 ALK (0.46) ALKEGFRINSRMETIGF1R
SCHEMBL24992442 0.86 EGFR (0.51) ALKPLK1ULK1EGFRMET
SCHEMBL26378998 0.85 ALK (0.56) ALKPLK1ULK1EGFRINSR
SCHEMBL24993047 0.84 ALK (0.70) ALKPLK1EGFRINSRMET
SCHEMBL24992448 0.83 EGFR (0.69) ALKPLK1EGFRMET
SCHEMBL24992286 0.82 EGFR (0.75) ALKPLK1ULK1EGFRINSR

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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