SCHEMBL22950994

SCHEMBL22950994

CCn1cc(-c2cc(Nc3ncc(Br)c(Nc4ccc5nccnc5c4P(C)(C)=O)n3)c(OC)cc2N2CCC(N3CCN(C)CC3)CC2)cn1

nearest known ligand 0.78

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 20/20 0.78

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
SCHEMBL29857904 0.94 EGFR (0.80) EGFR
SCHEMBL22950985 0.94 EGFR (0.80) EGFR
SCHEMBL29257983 0.93 EGFR (0.67) EGFR
SCHEMBL29877819 0.93 EGFR (0.67) EGFR
SCHEMBL23442667 0.91 EGFR (0.79) EGFR
SCHEMBL22951348 0.90 EGFR (0.75) EGFR
SCHEMBL28775790 0.90 EGFR (0.64) EGFR
SCHEMBL29877352 0.90 EGFR (0.62) EGFR
SCHEMBL25001621 0.90 EGFR (0.62) EGFR
SCHEMBL29257987 0.90 EGFR (0.62) EGFR

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-2021018009-A1 EGFR INHIBITOR, COMPOSITION, AND PREPARATION METHOD THEREFOR 贝达药业股份有限公司 2021-02-04 — — WO disclosed
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