SCHEMBL25001967

SCHEMBL25001967

COc1cc(N2CCOCC2)c(-c2cnn(C)c2)cc1Nc1ncc(Br)c(Nc2ccc3nccnc3c2P(C)(=O)CCCOc2cc(N3CCOCC3)c(-c3cnn(C)c3)cc2Nc2ncc(C#N)c(Nc3ccc4nccnc4c3P(C)(C)=O)n2)n1

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 20/20 0.53
▸ BTK Q06187 1/20 0.52

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
SCHEMBL25001599 0.91 EGFR (0.61) EGFRBTK
SCHEMBL22950947 0.89 EGFR (0.64) EGFRBTK
SCHEMBL25001345 0.86 EGFR (0.61) EGFRBTK
SCHEMBL23441985 0.84 EGFR (0.71) EGFR
SCHEMBL25001621 0.84 EGFR (0.62) EGFRBTK
SCHEMBL25001946 0.84 EGFR (0.69) EGFRBTK
SCHEMBL25001395 0.84 EGFR (0.67) EGFR
SCHEMBL25001388 0.84 EGFR (0.67) EGFR
SCHEMBL25001593 0.83 EGFR (0.60) EGFRBTK
SCHEMBL28535494 0.83 EGFR (0.59) 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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