SCHEMBL24327452

SCHEMBL24327452

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

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 13/20 0.57
▸ TTK P33981 1/20 0.54
▸ ALK Q9UM73 3/20 0.51
▸ INSR P06213 2/20 0.51
▸ IGF1R P08069 2/20 0.51
▸ ZAP70 P43403 1/20 0.50
▸ PLK1 P53350 2/20 0.49
▸ LRRK2 Q5S007 1/20 0.48

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
SCHEMBL24328341 0.93 EGFR (0.67) EGFRALKINSRIGF1RZAP70
SCHEMBL24327480 0.93 EGFR (0.57) EGFRALKINSRIGF1RZAP70
SCHEMBL24327466 0.89 EGFR (0.65) EGFRALKINSRIGF1RZAP70
SCHEMBL24327472 0.87 EGFR (0.64) EGFRALKINSRIGF1RZAP70
SCHEMBL24328571 0.87 EGFR (0.50) EGFRTTKALKINSRIGF1R
SCHEMBL24327366 0.87 EGFR (0.55) EGFRALKINSRIGF1RZAP70
SCHEMBL26778373 0.86 ALK (0.69) EGFRTTKALKINSRIGF1R
SCHEMBL24328348 0.86 EGFR (0.65) EGFRALKINSRIGF1RZAP70
SCHEMBL24327355 0.86 EGFR (0.62) EGFRALKINSRIGF1RZAP70
SCHEMBL24327331 0.86 EGFR (0.62) EGFRTTKALKINSRIGF1R

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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