SCHEMBL6584471

SCHEMBL6584471

CC#CC(=O)Nc1ccc(N=CN(C)C)c(C#N)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGFR P00533 6/20 0.40
ERBB2 P04626 3/20 0.40
ALDH1A1 P00352 3/20 0.37
GAA P10253 2/20 0.33
ERBB4 Q15303 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
MAPT P10636 1/20 0.33
IMPDH2 P12268 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
LMNA P02545 2/20 0.32
MEN1 O00255 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
GRM4 Q14833 1/20 0.32

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
SCHEMBL6588041 1.00 EGFR (0.40) EGFRERBB2ALDH1A1GAAERBB4
SCHEMBL24167727 1.00 EGFR (0.40) EGFRERBB2ALDH1A1GAAERBB4
SCHEMBL20605289 0.85 ALDH1A1 (0.40) ALDH1A1GAAMAPTIMPDH2NPC1
SCHEMBL20605293 0.85 ALDH1A1 (0.40) ALDH1A1GAAMAPTIMPDH2NPC1
SCHEMBL19322331 0.82 ALDH1A1 (0.38) ALDH1A1GAAMAPTIMPDH2NPC1
SCHEMBL19322333 0.80 ALDH1A1 (0.41) ALDH1A1GAAMAPTIMPDH2NPC1
SCHEMBL30478652 0.78 ALDH1A1 (0.35) ALDH1A1GAAMAPTIMPDH2NPC1
SCHEMBL2249233 0.77 IMPDH2 (0.36) ALDH1A1GAAMAPTIMPDH2LMNA
SCHEMBL14536912 0.77 IDO1 (0.52) ALDH1A1GAAMAPTRAB9A
SCHEMBL2249224 0.77 ALDH1A1 (0.37) ALDH1A1GAAMAPTLMNAMEN1

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 11 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
EP-0980244-A1 USE OF QUINAZOLINE COMPOUNDS FOR THE TREATMENT OF POLYCYSTIC KIDNEY DISEASE American Cyanamid Company (US) 2000-02-23 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
WO-1998050038-A1 USE OF QUINAZOLINE COMPOUNDS FOR THE TREATMENT OF POLYCYSTIC KIDNEY DISEASE AMERICAN CYANAMID COMPANY (US) 1998-11-12 WO disclosed
EP-0787722-A1 Substituted quinazoline derivatives American Cyanamid Company (US) 1997-08-06 EP disclosed