SCHEMBL24328343

SCHEMBL24328343

CNCCNC1CCN(c2ccc(Nc3ncc(Br)c(Nc4cccc5c4N(S(C)(=O)=O)CC54CC4)n3)c(OC)c2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 13/20 0.54
▸ ULK1 O75385 2/20 0.52
▸ ALK Q9UM73 3/20 0.49
▸ ZAP70 P43403 2/20 0.47
▸ PLK1 P53350 2/20 0.46
▸ CDC7 O00311 1/20 0.46
▸ PLK4 O00444 1/20 0.46
▸ CHEK1 O14757 1/20 0.46
▸ AURKA O14965 1/20 0.46
▸ DCLK1 O15075 1/20 0.46
▸ PDPK1 O15530 1/20 0.46
▸ DAPK3 O43293 1/20 0.46
▸ JAK2 O60674 1/20 0.46
▸ ROCK2 O75116 1/20 0.46
▸ PRKD3 O94806 1/20 0.46
▸ MAP4K4 O95819 1/20 0.46
▸ PAK4 O96013 1/20 0.46
▸ CHEK2 O96017 1/20 0.46
▸ ERBB2 P04626 1/20 0.46
▸ NTRK1 P04629 1/20 0.46

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
SCHEMBL24327480 0.88 EGFR (0.57) EGFRULK1ALKZAP70PLK1
SCHEMBL26778361 0.86 ALK (0.61) EGFRULK1ALKZAP70PLK1
SCHEMBL24328341 0.81 EGFR (0.67) EGFRALKZAP70IGF1R
SCHEMBL24327452 0.81 EGFR (0.57) EGFRALKZAP70PLK1IGF1R
SCHEMBL24327078 0.80 PLK1 (0.60) EGFRULK1ALKZAP70PLK1
SCHEMBL24327016 0.80 EGFR (0.62) EGFRALKZAP70IGF1R
SCHEMBL24327484 0.80 EGFR (0.47) EGFRALKCHEK1AURKAJAK2
SCHEMBL24327075 0.79 ALK (0.72) EGFRULK1ALKZAP70PLK1
SCHEMBL26778462 0.79 ALK (0.62) EGFRULK1ALKZAP70PLK1
SCHEMBL24327466 0.78 EGFR (0.65) EGFRALKZAP70IGF1R

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-2022063106-A1 INDOLINE COMPOUNDS AND DERIVATIVES AS EGFR INHIBITORS BEIGENE, LTD. (KY) 2022-03-31 — — WO disclosed
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