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Sugi Predict / Compounds / SCHEMBL3467692

SCHEMBL3467692

SCHEMBL3467692

CN(C)CCC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 20/20 1.00
▸ ERBB2 P04626 6/20 0.70

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
SCHEMBL867403 0.94 EGFR (1.00) EGFRERBB2
SCHEMBL8781957 0.91 EGFR (0.88) EGFRERBB2
SCHEMBL3467130 0.87 EGFR (0.84) EGFRERBB2
SCHEMBL2944459 0.87 EGFR (1.00) EGFRERBB2
SCHEMBL29918398 0.87 EGFR (1.00) EGFRERBB2
SCHEMBL6279282 0.86 EGFR (0.76) EGFRERBB2
SCHEMBL27572603 0.86 EGFR (0.79) EGFRERBB2
SCHEMBL15782168 0.86 EGFR (0.82) EGFRERBB2
SCHEMBL28006366 0.86 EGFR (0.82) EGFRERBB2
SCHEMBL4585935 0.85 EGFR (1.00) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010076764-A1 IRREVERSIBLE EGFR INHIBITOR COMPOUNDS WITH ANTIPROLIFERATIVE ACTIVITY UNIVERSITA' DEGLI STUDI DI PARMA (IT) 2010-07-08 — — WO disclosed
WO-2010076764-A1 IRREVERSIBLE EGFR INHIBITOR COMPOUNDS WITH ANTIPROLIFERATIVE ACTIVITY UNIVERSITA' DEGLI STUDI DI PARMA (IT) 2010-07-08 — — WO disclosed