SCHEMBL24327331

SCHEMBL24327331

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 14/20 0.62
▸ ZAP70 P43403 4/20 0.58
▸ ALK Q9UM73 4/20 0.55
▸ INSR P06213 3/20 0.55
▸ IGF1R P08069 3/20 0.55
▸ LRRK2 Q5S007 2/20 0.53
▸ BMPR1B O00238 1/20 0.53
▸ PLK4 O00444 1/20 0.53
▸ STK25 O00506 1/20 0.53
▸ RIOK3 O14730 1/20 0.53
▸ CHEK1 O14757 1/20 0.53
▸ CASK O14936 1/20 0.53
▸ AURKA O14965 1/20 0.53
▸ GAK O14976 1/20 0.53
▸ DCLK1 O15075 1/20 0.53
▸ MUSK O15146 1/20 0.53
▸ EPHB6 O15197 1/20 0.53
▸ PDPK1 O15530 1/20 0.53
▸ MAP3K13 O43283 1/20 0.53
▸ DAPK3 O43293 1/20 0.53

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) EGFRZAP70ALKINSRIGF1R
SCHEMBL24327472 0.92 EGFR (0.64) EGFRZAP70ALKINSRIGF1R
SCHEMBL24328348 0.91 EGFR (0.65) EGFRZAP70ALKINSRIGF1R
SCHEMBL24327355 0.91 EGFR (0.62) EGFRZAP70ALKINSRIGF1R
SCHEMBL24327578 0.90 EGFR (0.62) EGFRZAP70ALKINSRIGF1R
SCHEMBL24327466 0.89 EGFR (0.65) EGFRZAP70ALKINSRIGF1R
SCHEMBL24327606 0.88 EGFR (0.61) EGFRZAP70ALKINSRIGF1R
SCHEMBL24328331 0.87 EGFR (0.58) EGFRZAP70ALKINSRIGF1R
SCHEMBL26778345 0.87 ALK (0.74) EGFRZAP70ALKINSRIGF1R
SCHEMBL24327452 0.86 EGFR (0.57) EGFRZAP70ALKINSRIGF1R

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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