SCHEMBL29208809

SCHEMBL29208809

COc1cc(C2CNCCO2)c(-c2cnn(C)c2)cc1Nc1ncc(Br)c(Nc2ccc3nccnc3c2P(C)(C)=O)n1

nearest known ligand 0.53

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 20/20 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
SCHEMBL29208808 0.94 EGFR (0.52) EGFR
SCHEMBL29208855 0.94 EGFR (0.51) EGFR
SCHEMBL29208834 0.93 EGFR (0.48) EGFR
SCHEMBL29208813 0.93 EGFR (0.44) EGFR
SCHEMBL29208826 0.93 EGFR (0.53) EGFR
SCHEMBL25297038 0.92 EGFR (0.48) EGFR
SCHEMBL29208751 0.92 EGFR (0.45) EGFR
SCHEMBL29208869 0.92 EGFR (0.44) EGFR
SCHEMBL28945455 0.92 EGFR (0.52) EGFR
SCHEMBL29208821 0.92 EGFR (0.47) 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
CN-112538072-B Aminopyrimidine EGFR inhibitors 齐鲁制药有限公司 2024-02-06 — — CN disclosed
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