SCHEMBL24993689

SCHEMBL24993689

CCc1cc(Nc2ncc(Cl)c(Nc3ccc4c(c3N(C)S(C)(=O)=O)OCCO4)n2)ccc1N(C)CCN(C)C

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 5/20 0.42
▸ MET P08581 1/20 0.42
▸ BRD4 O60885 2/20 0.42
▸ JAK3 P52333 7/20 0.41
▸ JAK2 O60674 2/20 0.40
▸ JAK1 P23458 2/20 0.40
▸ TYK2 P29597 2/20 0.40
▸ NUAK1 O60285 1/20 0.40
▸ FLT3 P36888 1/20 0.40
▸ CDK16 Q00536 1/20 0.40
▸ CCNY Q8ND76 1/20 0.40
▸ STK17B O94768 1/20 0.40
▸ STK17A Q9UEE5 1/20 0.40
▸ EGFR P00533 6/20 0.38
▸ PTK2 Q05397 2/20 0.37
▸ BTK Q06187 1/20 0.37
▸ EML4 Q9HC35 1/20 0.37

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
SCHEMBL24992461 0.94 ALK (0.43) ALKMETBRD4JAK3STK17B
SCHEMBL24993670 0.91 PTK2 (0.38) ALKMETJAK3JAK2JAK1
SCHEMBL24993688 0.91 STK17A (0.44) ALKMETBRD4STK17BSTK17A
SCHEMBL24993191 0.85 EGFR (0.41) EGFRPTK2BTK
SCHEMBL24993662 0.84 MAPK9 (0.48) ALKBRD4EGFRPTK2
SCHEMBL24992458 0.83 BRD4 (0.54) ALKBRD4JAK2EGFR
SCHEMBL24993090 0.83 BRD4 (0.44) ALKMETBRD4EGFR
SCHEMBL24993664 0.82 EGFR (0.41) METJAK2STK17AEGFRPTK2
SCHEMBL24992491 0.81 PTK2 (0.40) ALKMETBRD4FLT3STK17B
SCHEMBL24992309 0.78 BRD4 (0.65) ALKBRD4EGFR

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
Send feedback