Sugi Predict

Sugi Predict / Compounds / SCHEMBL8142467

SCHEMBL8142467

SCHEMBL8142467

CC(C)N(CC#CC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1)C(C)C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 20/20 1.00
▸ ERBB2 P04626 18/20 1.00
▸ ERBB4 Q15303 3/20 0.73
▸ ABCG2 Q9UNQ0 1/20 0.73

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
SCHEMBL30115365 0.90 EGFR (1.00) EGFRERBB2ERBB4ABCG2
SCHEMBL7782260 0.89 EGFR (1.00) EGFRERBB2ERBB4ABCG2
SCHEMBL30115314 0.86 EGFR (1.00) EGFRERBB2ERBB4ABCG2
SCHEMBL30115332 0.85 EGFR (0.84) EGFRERBB2ERBB4ABCG2
SCHEMBL29350449 0.85 EGFR (1.00) EGFRERBB2ERBB4ABCG2
SCHEMBL29350915 0.85 EGFR (1.00) EGFRERBB2ERBB4ABCG2
SCHEMBL412104 0.85 EGFR (1.00) EGFRERBB2ERBB4ABCG2
SCHEMBL7220947 0.85 EGFR (0.83) EGFRERBB2ERBB4ABCG2
SCHEMBL30115348 0.85 EGFR (1.00) EGFRERBB2ERBB4ABCG2
SCHEMBL7220938 0.83 EGFR (0.81) EGFRERBB2ERBB4ABCG2

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
EP-1000039-A1 SUBSTITUTED QUINAZOLINE DERIVATIVES AND THEIR USE AS TYROSINE KINASE INHIBITORS American Cyanamid Company (US) 2000-05-17 — — EP disclosed
WO-1999009016-A1 SUBSTITUTED QUINAZOLINE DERIVATIVES AND THEIR USE AS TYROSINE KINASE INHIBITORS AMERICAN CYANAMID COMPANY (US) 1999-02-25 — — WO disclosed
Send feedback