SCHEMBL30552991

SCHEMBL30552991

O=[N+]([O-])c1ccc2ncnc(Nc3cccc(Br)c3)c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 14/20 1.00
▸ ABCG2 Q9UNQ0 1/20 0.67
▸ ERBB2 P04626 2/20 0.66
▸ ALK Q9UM73 1/20 0.65

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
SCHEMBL3244621 1.00 EGFR (1.00) EGFRABCG2ERBB2ALK
SCHEMBL17124151 0.92 EGFR (0.84) EGFRABCG2ERBB2
SCHEMBL4587672 0.88 ALK (0.79) EGFRABCG2ALK
SCHEMBL18349251 0.87 EGFR (0.77) EGFRABCG2ERBB2ALK
SCHEMBL1192454 0.86 EGFR (1.00) EGFRABCG2ALK
SCHEMBL8871973 0.86 EGFR (0.83) EGFRABCG2ERBB2ALK
SCHEMBL4587413 0.86 EGFR (0.83) EGFRABCG2ALK
SCHEMBL8871504 0.86 EGFR (0.76) EGFRABCG2ERBB2ALK
SCHEMBL27940882 0.85 EGFR (0.73) EGFRABCG2ERBB2
SCHEMBL8871526 0.83 EGFR (0.71) EGFRABCG2ALK

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-116529386-A Therapeutic diagnostic probes and their use for targeting and/or labelling EGFR kinase and/or EGFR family member expressing cells 天津大学 2023-08-01 — — CN disclosed
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