SCHEMBL25001815

SCHEMBL25001815

COc1cc(N2CCOCC2)c(-c2cncnc2)cc1Nc1ncc(C)c(Nc2ccc3nccnc3c2P(C)C)n1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 18/20 0.46
▸ BTK Q06187 1/20 0.45
▸ INSR P06213 1/20 0.44
▸ ALK Q9UM73 1/20 0.44
▸ LRRK2 Q5S007 1/20 0.41

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
SCHEMBL25002703 0.92 EGFR (0.56) EGFRBTKINSRALK
SCHEMBL30748538 0.92 EGFR (0.56) EGFRBTKINSRALK
SCHEMBL25001387 0.88 EGFR (0.59) EGFRBTK
SCHEMBL30748504 0.86 EGFR (0.52) EGFRBTK
SCHEMBL29208870 0.86 EGFR (0.52) EGFRBTK
SCHEMBL28533956 0.84 EGFR (0.48) EGFRBTK
SCHEMBL25001527 0.84 EGFR (0.55) EGFRBTKINSRALKLRRK2
SCHEMBL23442652 0.84 EGFR (0.66) EGFRBTKINSRALKLRRK2
SCHEMBL25001890 0.84 EGFR (0.55) EGFRBTK
SCHEMBL25002978 0.84 EGFR (0.48) 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
EP-4129996-A1 NOVEL AMINOPYRIMIDINE EGFR INHIBITOR QILU PHARMACEUTICAL CO., LTD. (CN) 2023-02-08 — — EP disclosed
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