SCHEMBL24992322

SCHEMBL24992322

COc1cc(N2CCN(C)CC2)ccc1Nc1ncc(Br)c(Nc2ccc3c(c2N(C)S(C)(=O)=O)OCCO3)n1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 9/20 0.57
▸ ULK1 O75385 3/20 0.55
▸ EGFR P00533 5/20 0.54
▸ MET P08581 1/20 0.54
▸ PLK1 P53350 2/20 0.52
▸ JAK3 P52333 1/20 0.51
▸ INSR P06213 3/20 0.50
▸ NPM1 P06748 1/20 0.50
▸ IGF1R P08069 2/20 0.49

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
SCHEMBL24992442 0.95 EGFR (0.51) ALKULK1EGFRMETPLK1
SCHEMBL24992280 0.94 EGFR (0.64) ALKULK1EGFRMETPLK1
SCHEMBL24992323 0.91 ALK (0.56) ALKULK1EGFRMETPLK1
SCHEMBL24992446 0.89 EGFR (0.64) EGFRMET
SCHEMBL24992441 0.87 ALK (0.51) ALKULK1EGFRMETPLK1
SCHEMBL24992286 0.86 EGFR (0.75) ALKULK1EGFRMETPLK1
SCHEMBL24992428 0.86 EGFR (0.51) ALKULK1EGFRMETINSR
SCHEMBL24993047 0.85 ALK (0.70) ALKEGFRMETPLK1INSR
SCHEMBL26378975 0.85 ALK (0.58) ALKULK1EGFRMETPLK1
SCHEMBL30014786 0.83 EGFR (0.69) EGFRMET

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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