SCHEMBL24327016

SCHEMBL24327016

CNCCNC1CCN(c2ccc(Nc3ncc(Cl)c(Nc4ccc(Br)c5c4N(S(C)(=O)=O)CC5)n3)c(OC)c2)CC1

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 13/20 0.62
▸ ALK Q9UM73 6/20 0.58
▸ ZAP70 P43403 1/20 0.54
▸ LRRK2 Q5S007 1/20 0.52
▸ INSR P06213 2/20 0.51
▸ IGF1R P08069 1/20 0.51

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
SCHEMBL24327313 0.93 EGFR (0.63) EGFRALKZAP70LRRK2INSR
SCHEMBL24327591 0.92 EGFR (0.62) EGFRALKZAP70LRRK2INSR
SCHEMBL24328341 0.88 EGFR (0.67) EGFRALKZAP70LRRK2INSR
SCHEMBL24327480 0.86 EGFR (0.57) EGFRALKZAP70INSRIGF1R
SCHEMBL24327466 0.86 EGFR (0.65) EGFRALKZAP70LRRK2INSR
SCHEMBL24328314 0.86 ALK (0.70) EGFRALKZAP70LRRK2INSR
SCHEMBL24327472 0.82 EGFR (0.64) EGFRALKZAP70LRRK2INSR
SCHEMBL24327452 0.82 EGFR (0.57) EGFRALKZAP70LRRK2INSR
SCHEMBL24328348 0.81 EGFR (0.65) EGFRALKZAP70LRRK2INSR
SCHEMBL24327331 0.81 EGFR (0.62) EGFRALKZAP70LRRK2INSR

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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