SCHEMBL21573261

SCHEMBL21573261

C=Cc1cccc(Nc2c(C#N)cnc3cc(C[C@H]4CCOC4)c(NC(=O)/C=C/CN4CCCCC4)cc23)c1

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 20/20 0.58
▸ ERBB2 P04626 18/20 0.58

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
SCHEMBL18933573 0.88 EGFR (0.64) EGFRERBB2
SCHEMBL19223027 0.87 EGFR (0.70) EGFRERBB2
SCHEMBL18933398 0.84 EGFR (0.61) EGFRERBB2
SCHEMBL18933399 0.84 EGFR (0.69) EGFRERBB2
SCHEMBL19389849 0.82 EGFR (0.56) EGFRERBB2
SCHEMBL21573230 0.81 EGFR (0.50) EGFRERBB2
SCHEMBL19223020 0.80 EGFR (0.71) EGFRERBB2
SCHEMBL14855227 0.79 EGFR (0.78) EGFRERBB2
SCHEMBL14855226 0.79 EGFR (0.78) EGFRERBB2
SCHEMBL14855224 0.79 EGFR (0.78) 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
EP-3222620-B1 CYANOQUINOLINE DERIVATIVES TIANJIN HEMAY ONCOLOGY PHARMACEUTICAL CO LTD (CN) 2019-11-20 — — EP disclosed
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