SCHEMBL28539880

SCHEMBL28539880

COc1c(Nc2ncc(Br)c(Nc3ccc4nccnc4c3P(C)(C)=O)n2)cc(-c2ccsc2)cc1N1CCOCC1

nearest known ligand 0.56

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 20/20 0.56

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
SCHEMBL23441963 0.88 EGFR (0.63) EGFR
SCHEMBL23441962 0.85 EGFR (0.52) EGFR
SCHEMBL28537702 0.84 EGFR (0.55) EGFR
SCHEMBL28540986 0.82 EGFR (0.51) EGFR
SCHEMBL25001388 0.80 EGFR (0.67) EGFR
Formic Acid SCHEMBL28533959 0.80 EGFR (0.51) EGFR
SCHEMBL25001396 0.79 EGFR (0.53) EGFR
SCHEMBL25001494 0.79 EGFR (0.63) EGFR
SCHEMBL23441956 0.79 EGFR (0.78) EGFR
SCHEMBL23442676 0.78 EGFR (0.64) 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-A Novel aminopyrimidine EGFR (epidermal growth factor receptor) inhibitor 齐鲁制药有限公司 2021-03-23 — — CN disclosed
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