SCHEMBL24992297

SCHEMBL24992297

CCc1cc(Nc2ncc(Cl)c(Nc3ccc4c(c3N(C)S(C)(=O)=O)OCCO4)n2)c(OC)cc1N1CCC(N(C)C)C1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 13/20 0.57
▸ ZAP70 P43403 1/20 0.51
▸ ALK Q9UM73 7/20 0.51
▸ INSR P06213 2/20 0.51
▸ IGF1R P08069 2/20 0.51
▸ AURKA O14965 1/20 0.47
▸ ROS1 P08922 1/20 0.47
▸ EML4 Q9HC35 1/20 0.47
▸ MET P08581 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
SCHEMBL24992306 0.90 EGFR (0.54) EGFRALKINSRIGF1RMET
SCHEMBL27075983 0.89 EGFR (0.58) EGFRZAP70ALKINSRIGF1R
SCHEMBL30015267 0.89 EGFR (0.58) EGFRZAP70ALKINSRIGF1R
SCHEMBL24992447 0.88 EGFR (0.69) EGFRAURKAROS1MET
SCHEMBL24992457 0.88 EGFR (0.58) EGFRALKINSRIGF1RAURKA
SCHEMBL24993148 0.88 EGFR (0.61) EGFRZAP70ALKINSRIGF1R
SCHEMBL24992456 0.88 EGFR (0.58) EGFRAURKAROS1MET
SCHEMBL26379427 0.86 EGFR (0.67) EGFRZAP70ALKINSRIGF1R
SCHEMBL24993179 0.83 EGFR (0.55) EGFRAURKAROS1MET
SCHEMBL26379415 0.82 EGFR (0.69) EGFRALKINSRIGF1RAURKA

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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