SCHEMBL29208826

SCHEMBL29208826

COc1cc(C2CNCCO2)c(-c2cnn(C)c2)cc1Nc1ncc(Cl)c(Nc2ccc3nccnc3c2P(C)(C)=O)n1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 16/20 0.53
▸ BTK Q06187 1/20 0.52
▸ LRRK2 Q5S007 1/20 0.44
▸ ALK Q9UM73 2/20 0.44
▸ INSR P06213 1/20 0.44
▸ IGF1R P08069 1/20 0.44
▸ MAP4K1 Q92918 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
SCHEMBL29208834 0.93 EGFR (0.48) EGFRBTK
SCHEMBL29208813 0.93 EGFR (0.44) EGFRBTK
SCHEMBL29208809 0.93 EGFR (0.53) EGFR
SCHEMBL25297038 0.92 EGFR (0.48) EGFRBTK
SCHEMBL29208751 0.92 EGFR (0.45) EGFRBTK
SCHEMBL29208857 0.91 EGFR (0.51) EGFRBTKLRRK2ALKMAP4K1
SCHEMBL29208846 0.91 EGFR (0.51) EGFRBTKLRRK2ALKMAP4K1
SCHEMBL25300965 0.91 EGFR (0.43) EGFRBTKALKMAP4K1
SCHEMBL29208854 0.90 EGFR (0.56) EGFRBTKLRRK2ALKINSR
SCHEMBL29208808 0.87 EGFR (0.52) 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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