SCHEMBL30748538

SCHEMBL30748538

COc1cc(N2CCOCC2)c(-c2cn[nH]c2)cc1Nc1ncc(C)c(Nc2ccc3nccnc3c2P(C)C)n1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 19/20 0.56
▸ BTK Q06187 1/20 0.44
▸ INSR P06213 1/20 0.43
▸ ALK Q9UM73 1/20 0.43

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 1.00 EGFR (0.56) EGFRBTKINSRALK
SCHEMBL25001815 0.92 EGFR (0.46) EGFRBTKINSRALK
SCHEMBL25002390 0.88 EGFR (0.64) EGFR
SCHEMBL25001890 0.82 EGFR (0.55) EGFRBTK
SCHEMBL25001527 0.82 EGFR (0.55) EGFRBTKINSRALK
SCHEMBL25002978 0.82 EGFR (0.48) EGFR
SCHEMBL23442652 0.82 EGFR (0.66) EGFRBTKINSRALK
SCHEMBL25001604 0.82 EGFR (0.43) EGFRBTKINSRALK
SCHEMBL25001639 0.82 EGFR (0.48) EGFR
SCHEMBL30748527 0.82 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
CN-112538072-B Aminopyrimidine EGFR inhibitors 齐鲁制药有限公司 2024-02-06 — — CN disclosed
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