SCHEMBL24992286

SCHEMBL24992286

COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccc3c(c2N(C)S(C)(=O)=O)OCCO3)n1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 7/20 0.75
▸ MET P08581 3/20 0.75
▸ ALK Q9UM73 15/20 0.69
▸ INSR P06213 13/20 0.69
▸ IGF1R P08069 13/20 0.69
▸ CHEK1 O14757 2/20 0.64
▸ AURKA O14965 2/20 0.64
▸ NUAK1 O60285 2/20 0.64
▸ JAK2 O60674 2/20 0.64
▸ STK10 O94804 2/20 0.64
▸ PRKD3 O94806 2/20 0.64
▸ CHEK2 O96017 2/20 0.64
▸ ABL1 P00519 2/20 0.64
▸ ERBB2 P04626 2/20 0.64
▸ LCK P06239 2/20 0.64
▸ FYN P06241 2/20 0.64
▸ FES P07332 2/20 0.64
▸ CSF1R P07333 2/20 0.64
▸ YES1 P07947 2/20 0.64
▸ LYN P07948 2/20 0.64

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
SCHEMBL24992280 0.93 EGFR (0.64) EGFRMETALKINSRIGF1R
SCHEMBL24993153 0.90 EGFR (0.61) EGFRMETALKINSRIGF1R
SCHEMBL24993148 0.90 EGFR (0.61) EGFRMETALKINSRIGF1R
SCHEMBL24993047 0.89 ALK (0.70) EGFRMETALKINSRIGF1R
SCHEMBL30015158 0.89 EGFR (0.75) EGFRMETALKINSRIGF1R
SCHEMBL27076084 0.89 EGFR (0.75) EGFRMETALKINSRIGF1R
SCHEMBL24992322 0.86 ALK (0.57) EGFRMETALKINSRIGF1R
SCHEMBL24073476 0.86 EGFR (0.76) EGFRMETALKINSRIGF1R
SCHEMBL21432183 0.86 EGFR (1.00) EGFRMETALKINSRIGF1R
SCHEMBL24992311 0.85 EGFR (0.55) EGFRMETALKINSRIGF1R

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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