SCHEMBL6589963

SCHEMBL6589963

CC#CC(=O)Nc1ccc2ncnc(Cl)c2c1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EGFR P00533 17/20 0.60
ERBB2 P04626 14/20 0.60
ERBB4 Q15303 8/20 0.60
ABCG2 Q9UNQ0 1/20 0.60
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
PIK3CD O00329 1/20 0.48
BTK Q06187 2/20 0.45
ITK Q08881 1/20 0.44

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
SCHEMBL15520293 0.82 EGFR (0.60) EGFRERBB2ABCG2MEN1KMT2A
SCHEMBL24167219 0.80 EGFR (0.65) EGFRERBB2ERBB4ABCG2MEN1
SCHEMBL28389700 0.77 EGFR (0.61) EGFRERBB2ERBB4
SCHEMBL29350915 0.76 EGFR (1.00) EGFRERBB2ERBB4ABCG2
SCHEMBL29350449 0.76 EGFR (1.00) EGFRERBB2ERBB4ABCG2
SCHEMBL412104 0.76 EGFR (1.00) EGFRERBB2ERBB4ABCG2
SCHEMBL27748903 0.76 EGFR (0.64) EGFRERBB2ERBB4BTK
SCHEMBL7243449 0.75 EGFR (0.70) EGFRERBB2ERBB4ABCG2PIK3CD
SCHEMBL7242457 0.75 EGFR (0.67) EGFRERBB2ERBB4ABCG2MEN1
SCHEMBL7122157 0.74 EGFR (0.50) EGFRERBB2ERBB4ABCG2MEN1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1000039-B1 SUBSTITUTED QUINAZOLINE DERIVATIVES AND THEIR USE AS TYROSINE KINASE INHIBITORS WYETH CORP (US) 2004-06-09 EP disclosed
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
US-6251912-B1 Substituted quinazoline derivatives AMERICAN CYANAMID COMPANY 2001-06-26 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-1000039-A1 SUBSTITUTED QUINAZOLINE DERIVATIVES AND THEIR USE AS TYROSINE KINASE INHIBITORS American Cyanamid Company (US) 2000-05-17 EP 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-1999009016-A1 SUBSTITUTED QUINAZOLINE DERIVATIVES AND THEIR USE AS TYROSINE KINASE INHIBITORS AMERICAN CYANAMID COMPANY (US) 1999-02-25 WO disclosed
EP-0787722-A1 Substituted quinazoline derivatives American Cyanamid Company (US) 1997-08-06 EP disclosed