SCHEMBL30478673

SCHEMBL30478673

C=CC(=O)Nc1ccc2ncc(C#N)c(Nc3ccc(Oc4cc5nncn5cn4)c(C)c3)c2c1

nearest known ligand 0.80

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.80
ERBB2 P04626 15/20 0.80

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
SCHEMBL20780773 1.00 EGFR (0.80) EGFRERBB2
SCHEMBL22200834 0.88 EGFR (0.75) EGFRERBB2
SCHEMBL20780782 0.85 EGFR (0.78) EGFRERBB2
SCHEMBL30478672 0.85 EGFR (0.78) EGFRERBB2
SCHEMBL22076964 0.85 EGFR (1.00) EGFRERBB2
SCHEMBL22076897 0.85 EGFR (0.78) EGFRERBB2
SCHEMBL20780799 0.85 EGFR (1.00) EGFRERBB2
SCHEMBL30478680 0.85 EGFR (1.00) EGFRERBB2
SCHEMBL22076863 0.84 EGFR (0.68) EGFRERBB2
SCHEMBL30478661 0.84 EGFR (0.68) EGFRERBB2

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-109422755-B Nitrogen-containing heterocyclic compound, preparation method, intermediate, composition and application 上海医药集团股份有限公司 2023-07-04 CN disclosed