SCHEMBL25001890

SCHEMBL25001890

COc1cc(N2CCOCC2)c(-c2cnn(C)c2)cc1Nc1ncc(Br)c(Nc2ccc3nccnc3c2P(C)C)n1

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 19/20 0.55
▸ BTK Q06187 1/20 0.55
▸ TTK P33981 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
SCHEMBL25001534 0.94 EGFR (0.56) EGFR
SCHEMBL25001947 0.94 EGFR (0.54) EGFR
SCHEMBL25820802 0.92 EGFR (0.58) EGFRBTKTTK
SCHEMBL25001622 0.92 EGFR (0.48) EGFRBTK
SCHEMBL25001595 0.92 EGFR (0.48) EGFRBTKTTK
SCHEMBL25002508 0.92 EGFR (0.52) EGFRBTK
SCHEMBL25002403 0.92 EGFR (0.50) EGFRBTK
SCHEMBL29877082 0.92 EGFR (0.50) EGFRBTK
SCHEMBL25001527 0.92 EGFR (0.55) EGFRBTKTTK
SCHEMBL23442652 0.92 EGFR (0.66) EGFRBTKTTK

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
EP-4129996-A1 NOVEL AMINOPYRIMIDINE EGFR INHIBITOR QILU PHARMACEUTICAL CO., LTD. (CN) 2023-02-08 — — EP disclosed
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