SCHEMBL24993174

SCHEMBL24993174

CCc1cc(Nc2ncc(Br)c(Nc3ccc4c(c3N(C)S(C)(=O)=O)OCCO4)n2)c(OC(F)(F)F)cc1N1CCC(N2CCN(C)CC2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 20/20 0.61
▸ MET P08581 2/20 0.49
▸ CHEK1 O14757 1/20 0.49
▸ AURKA O14965 1/20 0.49
▸ CCNT1 O60563 1/20 0.49
▸ JAK2 O60674 1/20 0.49
▸ RET P07949 1/20 0.49
▸ ROS1 P08922 1/20 0.49
▸ PDGFRB P09619 1/20 0.49
▸ KIT P10721 1/20 0.49
▸ PIM1 P11309 1/20 0.49
▸ PDGFRA P16234 1/20 0.49
▸ FER P16591 1/20 0.49
▸ EPHA1 P21709 1/20 0.49
▸ MAPK3 P27361 1/20 0.49
▸ EPHB2 P29323 1/20 0.49
▸ AXL P30530 1/20 0.49
▸ MAPK8 P45983 1/20 0.49
▸ CDK9 P50750 1/20 0.49
▸ PKD1 P98161 1/20 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
SCHEMBL24992455 0.94 EGFR (0.69) EGFRMETCHEK1AURKACCNT1
SCHEMBL30014786 0.94 EGFR (0.69) EGFRMETCHEK1AURKACCNT1
SCHEMBL24992307 0.89 EGFR (0.58) EGFRMETCHEK1AURKACCNT1
SCHEMBL24993061 0.89 EGFR (0.69) EGFRMETCHEK1AURKACCNT1
SCHEMBL26378854 0.88 EGFR (0.68) EGFR
SCHEMBL24993175 0.87 EGFR (0.61) EGFRMETCHEK1AURKACCNT1
SCHEMBL24993064 0.87 EGFR (0.67) EGFRMETCHEK1AURKACCNT1
SCHEMBL24992453 0.87 EGFR (0.54) EGFRMETCHEK1AURKACCNT1
SCHEMBL24993148 0.86 EGFR (0.61) EGFRMETCHEK1AURKAJAK2
SCHEMBL29173191 0.85 EGFR (0.70) EGFRMETCHEK1AURKACCNT1

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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