SCHEMBL23442685

SCHEMBL23442685

COc1cc(N2CCC(N(C)C)CC2)c(-c2cn(C)nn2)cc1Nc1ncc(Br)c(Nc2ccc3nccnc3c2P(C)(C)=O)n1

nearest known ligand 0.79

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 20/20 0.79

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
SCHEMBL23441737 0.92 EGFR (0.80) EGFR
SCHEMBL23441755 0.92 EGFR (0.80) EGFR
SCHEMBL23442669 0.91 EGFR (0.80) EGFR
SCHEMBL23441752 0.91 EGFR (0.64) EGFR
SCHEMBL23441971 0.90 EGFR (0.79) EGFR
SCHEMBL23442688 0.89 EGFR (0.66) EGFR
SCHEMBL23442620 0.89 EGFR (0.79) EGFR
SCHEMBL22025586 0.88 EGFR (1.00) EGFR
SCHEMBL22028074 0.87 EGFR (0.85) EGFR
SCHEMBL22182672 0.87 EGFR (0.88) 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-2021104441-A1 POLYAROMATIC COMPOUND AS EGFR KINASE INHIBITOR 江苏先声药业有限公司 2021-06-03 — — WO disclosed
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