SCHEMBL24993662

SCHEMBL24993662

CCc1cc(Nc2ncc(Cl)c(Nc3ccc4c(c3N(C)S(C)(=O)=O)OCCO4)n2)ccc1N1CCOCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK9 P45984 4/20 0.48
▸ MAPK10 P53779 4/20 0.48
▸ BRD4 O60885 4/20 0.47
▸ MAPK8 P45983 2/20 0.47
▸ EGFR P00533 4/20 0.46
▸ CCNK O75909 1/20 0.45
▸ CCNA2 P20248 1/20 0.45
▸ CDK2 P24941 1/20 0.45
▸ CCND3 P30281 1/20 0.45
▸ CDK9 P50750 1/20 0.45
▸ CDK6 Q00534 1/20 0.45
▸ LRRK2 Q5S007 1/20 0.43
▸ ZAP70 P43403 1/20 0.43
▸ INSR P06213 2/20 0.43
▸ ALK Q9UM73 2/20 0.43
▸ PKMYT1 Q99640 2/20 0.43
▸ IGF1R P08069 1/20 0.43
▸ PTK2 Q05397 1/20 0.43
▸ PTK2B Q14289 1/20 0.43
▸ AXL P30530 1/20 0.43

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
SCHEMBL24992458 0.94 BRD4 (0.54) BRD4EGFRALKAXL
SCHEMBL24993090 0.93 BRD4 (0.44) MAPK9MAPK10BRD4MAPK8EGFR
SCHEMBL24992488 0.89 EGFR (0.53) BRD4EGFRINSRALKIGF1R
SCHEMBL24992473 0.89 EGFR (0.48) MAPK9MAPK10BRD4MAPK8EGFR
SCHEMBL24993690 0.88 BRD4 (0.40) MAPK9MAPK10BRD4MAPK8EGFR
SCHEMBL24993046 0.85 FLT3 (0.48) BRD4EGFRCDK6
SCHEMBL24993663 0.85 EGFR (0.48) BRD4EGFR
SCHEMBL24993688 0.85 STK17A (0.44) BRD4EGFRLRRK2ALKPTK2
SCHEMBL24992472 0.85 BRD4 (0.55) MAPK9MAPK10BRD4EGFRCCNK
SCHEMBL24993689 0.84 ALK (0.42) BRD4EGFRALKPTK2

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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