SCHEMBL24992280

SCHEMBL24992280

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

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 10/20 0.64
▸ MET P08581 2/20 0.64
▸ ALK Q9UM73 10/20 0.58
▸ INSR P06213 8/20 0.58
▸ IGF1R P08069 8/20 0.58
▸ PLK1 P53350 2/20 0.57
▸ BMPR1B O00238 1/20 0.54
▸ PLK4 O00444 1/20 0.54
▸ STK25 O00506 1/20 0.54
▸ RIOK3 O14730 1/20 0.54
▸ CHEK1 O14757 1/20 0.54
▸ CASK O14936 1/20 0.54
▸ AURKA O14965 1/20 0.54
▸ GAK O14976 1/20 0.54
▸ DCLK1 O15075 1/20 0.54
▸ MUSK O15146 1/20 0.54
▸ EPHB6 O15197 1/20 0.54
▸ PDPK1 O15530 1/20 0.54
▸ MAP3K13 O43283 1/20 0.54
▸ DAPK3 O43293 1/20 0.54

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
SCHEMBL24992322 0.94 ALK (0.57) EGFRMETALKINSRIGF1R
SCHEMBL24992286 0.93 EGFR (0.75) EGFRMETALKINSRIGF1R
SCHEMBL24992323 0.90 ALK (0.56) EGFRMETALKINSRIGF1R
SCHEMBL30014786 0.89 EGFR (0.69) EGFRMETCHEK1AURKAJAK2
SCHEMBL24992455 0.89 EGFR (0.69) EGFRMETCHEK1AURKAJAK2
SCHEMBL24992442 0.89 EGFR (0.51) EGFRMETALKIGF1RPLK1
SCHEMBL24992431 0.88 EGFR (0.55) EGFRMETALKINSRIGF1R
SCHEMBL24992430 0.87 EGFR (0.59) EGFRMETALKINSRIGF1R
SCHEMBL24992308 0.86 EGFR (0.55) EGFRMETALKINSRIGF1R
SCHEMBL24073384 0.86 EGFR (0.65) 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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