SCHEMBL29208871

SCHEMBL29208871

COc1cc(C2CNCCO2)c(-c2cncnc2)cc1Nc1ncc(C)c(Nc2ccc3nccnc3c2OP(C)(C)=O)n1

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 17/20 0.39
▸ ALK Q9UM73 2/20 0.38
▸ MAP4K1 Q92918 1/20 0.36

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
Formic Acid SCHEMBL28533957 0.88 EGFR (0.45) EGFR
SCHEMBL28540984 0.84 EGFR (0.47) EGFR
SCHEMBL29208848 0.83 EGFR (0.41) EGFRALKMAP4K1
SCHEMBL29208834 0.83 EGFR (0.48) EGFR
SCHEMBL29208870 0.82 EGFR (0.52) EGFR
SCHEMBL30748504 0.82 EGFR (0.52) EGFR
SCHEMBL29208764 0.76 EGFR (0.52) EGFR
SCHEMBL29208809 0.76 EGFR (0.53) EGFR
SCHEMBL29208813 0.76 EGFR (0.44) EGFR
SCHEMBL25297038 0.76 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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