SCHEMBL24327606

SCHEMBL24327606

CNCCNC1CCN(c2ccc(Nc3ncc(Cl)c(Nc4cccc5c4N(S(=O)(=O)CCc4ccccc4)CC5)n3)c(OC)c2)CC1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 16/20 0.61
▸ ZAP70 P43403 2/20 0.55
▸ INSR P06213 2/20 0.52
▸ IGF1R P08069 2/20 0.52
▸ ALK Q9UM73 2/20 0.52
▸ LRRK2 Q5S007 1/20 0.52

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
SCHEMBL24327578 0.92 EGFR (0.62) EGFRZAP70INSRIGF1RALK
SCHEMBL24327355 0.91 EGFR (0.62) EGFRZAP70INSRIGF1RALK
SCHEMBL24328341 0.90 EGFR (0.67) EGFRZAP70INSRIGF1RALK
SCHEMBL24327472 0.89 EGFR (0.64) EGFRZAP70INSRIGF1RALK
SCHEMBL24328313 0.88 ALK (0.69) EGFRZAP70INSRIGF1RALK
SCHEMBL24328348 0.88 EGFR (0.65) EGFRZAP70INSRIGF1RALK
SCHEMBL24327331 0.88 EGFR (0.62) EGFRZAP70INSRIGF1RALK
SCHEMBL24328331 0.87 EGFR (0.58) EGFRZAP70INSRIGF1RALK
SCHEMBL24327466 0.86 EGFR (0.65) EGFRZAP70INSRIGF1RALK
SCHEMBL24327452 0.83 EGFR (0.57) EGFRZAP70INSRIGF1RALK

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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