SCHEMBL25001610

SCHEMBL25001610

COc1cc(N2CCN(C(C)=O)CC2)c(-c2cnn(C)c2)cc1Nc1ncc(Br)c(Nc2ccc3nccnc3c2P(C)C)n1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 19/20 0.58
▸ ALK Q9UM73 1/20 0.54
▸ BTK Q06187 1/20 0.46

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
SCHEMBL23441943 0.95 EGFR (0.67) EGFRALK
SCHEMBL25001552 0.94 EGFR (0.51) EGFRALKBTK
SCHEMBL25002036 0.94 EGFR (0.52) EGFRALK
SCHEMBL25001837 0.90 EGFR (0.53) EGFR
SCHEMBL25001947 0.90 EGFR (0.54) EGFR
SCHEMBL25001609 0.90 EGFR (0.72) EGFR
SCHEMBL25002414 0.90 EGFR (0.49) EGFRBTK
SCHEMBL25001890 0.90 EGFR (0.55) EGFRBTK
SCHEMBL25002403 0.90 EGFR (0.50) EGFRBTK
SCHEMBL25002508 0.90 EGFR (0.52) EGFRBTK

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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