SCHEMBL29208847

SCHEMBL29208847

COc1cc(N2CCC(C3CNCCO3)CC2)c(-c2cnn(C)c2)cc1Nc1ncc(Br)c(Nc2ccc3ncccc3c2P(C)(C)=O)n1

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 20/20 0.51
▸ BTK Q06187 1/20 0.51

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
SCHEMBL28836702 0.92 EGFR (0.48) EGFRBTK
SCHEMBL25001948 0.88 EGFR (0.64) EGFRBTK
SCHEMBL28535528 0.86 EGFR (0.61) EGFRBTK
SCHEMBL29208869 0.86 EGFR (0.44) EGFRBTK
SCHEMBL25821590 0.85 EGFR (0.56) EGFR
SCHEMBL28539917 0.84 EGFR (0.59) EGFR
SCHEMBL28526204 0.84 EGFR (0.60) EGFR
SCHEMBL25001607 0.84 EGFR (0.54) EGFRBTK
SCHEMBL25002438 0.84 EGFR (0.56) EGFR
SCHEMBL25002439 0.84 EGFR (0.54) 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
CN-112538072-B Aminopyrimidine EGFR inhibitors 齐鲁制药有限公司 2024-02-06 — — CN disclosed
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