SCHEMBL6589954

SCHEMBL6589954

NC(=O)C#CCc1ccc2ncnc(Cl)c2c1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
CNR1 P21554 3/20 0.36
CNR2 P34972 2/20 0.36
EGFR P00533 5/20 0.35
MAP4K4 O95819 1/20 0.35
ERBB2 P04626 2/20 0.35
MMP13 P45452 2/20 0.35
ERBB4 Q15303 1/20 0.35
ENPP1 P22413 2/20 0.35
HTT P42858 2/20 0.33
NR2F2 P24468 1/20 0.33
AKT1 P31749 2/20 0.32
PDE5A O76074 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CG P48736 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
SCHEMBL17209359 0.76 PIK3CG (0.45) PDE4APDE4BPDE4CPDE4DMAP4K4
SCHEMBL2642909 0.75 ALDH1A1 (0.48) PDE4APDE4BPDE4CPDE4DCNR1
SCHEMBL496868 0.74 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DEGFR
SCHEMBL27890062 0.70 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DEGFR
SCHEMBL4420740 0.70 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DEGFR
SCHEMBL15519501 0.70 ALDH1A1 (0.44) PDE4APDE4BPDE4CPDE4DCNR1
SCHEMBL27868783 0.70 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DEGFR
SCHEMBL17660981 0.69 IRAK4 (0.52) PDE4APDE4BPDE4CPDE4DEGFR
SCHEMBL13404526 0.68 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DCNR1
SCHEMBL27797765 0.68 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DEGFR

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
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-1999009016-A1 SUBSTITUTED QUINAZOLINE DERIVATIVES AND THEIR USE AS TYROSINE KINASE INHIBITORS AMERICAN CYANAMID COMPANY (US) 1999-02-25 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