SCHEMBL24993690

SCHEMBL24993690

CCc1cc(Nc2ncc(Cl)c(Nc3ccc4c(c3N(C)S(C)(=O)=O)OCCO4)n2)ccc1N1CC2(CCCOC2)C1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 3/20 0.40
▸ EGFR P00533 2/20 0.38
▸ STK17B O94768 1/20 0.38
▸ STK17A Q9UEE5 1/20 0.38
▸ ALK Q9UM73 6/20 0.37
▸ MET P08581 4/20 0.37
▸ MAPK9 P45984 3/20 0.37
▸ MAPK10 P53779 3/20 0.37
▸ INSR P06213 4/20 0.36
▸ MAPK8 P45983 1/20 0.36
▸ AXL P30530 2/20 0.36
▸ FLT3 P36888 1/20 0.35
▸ MAPK3 P27361 1/20 0.35

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
SCHEMBL24993672 0.92 PTK2 (0.35) BRD4EGFRSTK17AALKAXL
SCHEMBL24993662 0.88 MAPK9 (0.48) BRD4EGFRALKMAPK9MAPK10
SCHEMBL24992458 0.86 BRD4 (0.54) BRD4EGFRALKAXL
SCHEMBL24993090 0.85 BRD4 (0.44) BRD4EGFRALKMETMAPK9
SCHEMBL24992488 0.81 EGFR (0.53) BRD4EGFRALKMETINSR
SCHEMBL24993688 0.80 STK17A (0.44) BRD4EGFRSTK17BSTK17AALK
SCHEMBL24993689 0.80 ALK (0.42) BRD4EGFRSTK17BSTK17AALK
SCHEMBL24992461 0.79 ALK (0.43) BRD4EGFRSTK17BSTK17AALK
SCHEMBL24993046 0.78 FLT3 (0.48) BRD4EGFRFLT3
SCHEMBL24993663 0.78 EGFR (0.48) BRD4EGFR

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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