SCHEMBL7208931

SCHEMBL7208931

O=C(C#Cc1ccccc1)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1

nearest known ligand 0.78

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.78
ERBB2 P04626 12/20 0.78
ERBB4 Q15303 3/20 0.78
ABCG2 Q9UNQ0 1/20 0.78
FYN P06241 1/20 0.64
SRC P12931 1/20 0.64
BLK P51451 1/20 0.64
BMX P51813 1/20 0.64
JAK3 P52333 1/20 0.64
BTK Q06187 1/20 0.64

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
SCHEMBL29350449 0.88 EGFR (1.00) EGFRERBB2ERBB4ABCG2
SCHEMBL412104 0.88 EGFR (1.00) EGFRERBB2ERBB4ABCG2
SCHEMBL29350915 0.88 EGFR (1.00) EGFRERBB2ERBB4ABCG2
SCHEMBL30115314 0.85 EGFR (1.00) EGFRERBB2ERBB4ABCG2
SCHEMBL2985038 0.85 EGFR (1.00) EGFRERBB2ERBB4ABCG2FYN
SCHEMBL30115332 0.84 EGFR (0.84) EGFRERBB2ERBB4ABCG2
SCHEMBL4662734 0.84 EGFR (0.92) EGFRERBB2ERBB4ABCG2
SCHEMBL27922042 0.83 EGFR (0.74) EGFRERBB2ERBB4ABCG2FYN
SCHEMBL30115348 0.82 EGFR (1.00) EGFRERBB2ERBB4ABCG2
SCHEMBL30115365 0.82 EGFR (1.00) 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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0980244-B1 USE OF QUINAZOLINE COMPOUNDS FOR THE TREATMENT OF POLYCYSTIC KIDNEY DISEASE WYETH CORP (US) 2003-06-04 EP claimed
US-6323209-B1 QUINAZOLINE COMPOUNDS IN THE TREATMENT AND INHIBITION OF COLONIC POLYPS. AMERICAN CYANAMID COMPANY 2001-11-27 US claimed
EP-1039910-A1 USE OF QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS FOR TREATING COLONIC POLYPS American Cyanamid Company (US) 2000-10-04 EP claimed
EP-0980244-A1 USE OF QUINAZOLINE COMPOUNDS FOR THE TREATMENT OF POLYCYSTIC KIDNEY DISEASE American Cyanamid Company (US) 2000-02-23 EP claimed
US-5929080-A ADMINISTERING PHENYLAMINOQUINAZOLINE DERIVATIVE AMERICAN CYANAMID COMPANY (US) 1999-07-27 US claimed
WO-1999024037-A1 USE OF QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS FOR TREATING COLONIC POLYPS AMERICAN CYANAMID COMPANY (US) 1999-05-20 WO claimed
WO-1998050038-A1 USE OF QUINAZOLINE COMPOUNDS FOR THE TREATMENT OF POLYCYSTIC KIDNEY DISEASE AMERICAN CYANAMID COMPANY (US) 1998-11-12 WO claimed
US-5760041-A 4-aminoquinazoline EGFR Inhibitors AMERICAN CYANAMID COMPANY (US) 1998-06-02 US claimed
EP-0787722-A1 Substituted quinazoline derivatives American Cyanamid Company (US) 1997-08-06 EP claimed
EP-0980244-B1 USE OF QUINAZOLINE COMPOUNDS FOR THE TREATMENT OF POLYCYSTIC KIDNEY DISEASE WYETH CORP (US) 2003-06-04 EP disclosed
US-6323209-B1 QUINAZOLINE COMPOUNDS IN THE TREATMENT AND INHIBITION OF COLONIC POLYPS. AMERICAN CYANAMID COMPANY 2001-11-27 US disclosed
EP-1039910-A1 USE OF QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS FOR TREATING COLONIC POLYPS American Cyanamid Company (US) 2000-10-04 EP disclosed
EP-0980244-A1 USE OF QUINAZOLINE COMPOUNDS FOR THE TREATMENT OF POLYCYSTIC KIDNEY DISEASE American Cyanamid Company (US) 2000-02-23 EP disclosed
US-5929080-A ADMINISTERING PHENYLAMINOQUINAZOLINE DERIVATIVE AMERICAN CYANAMID COMPANY (US) 1999-07-27 US disclosed
WO-1999024037-A1 USE OF QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS FOR TREATING COLONIC POLYPS AMERICAN CYANAMID COMPANY (US) 1999-05-20 WO disclosed
WO-1998050038-A1 USE OF QUINAZOLINE COMPOUNDS FOR THE TREATMENT OF POLYCYSTIC KIDNEY DISEASE AMERICAN CYANAMID COMPANY (US) 1998-11-12 WO disclosed
US-5760041-A 4-aminoquinazoline EGFR Inhibitors AMERICAN CYANAMID COMPANY (US) 1998-06-02 US disclosed
EP-0787722-A1 Substituted quinazoline derivatives American Cyanamid Company (US) 1997-08-06 EP disclosed