SCHEMBL4686744

SCHEMBL4686744

COc1ccc(N2Cc3cnc(N(C(=O)O)c4ccccc4)nc3N(c3ccccc3)C2=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR4 P22455 9/20 0.45
EGFR P00533 8/20 0.44
PDGFRB P09619 3/20 0.44
FGFR1 P11362 3/20 0.44
PDGFRA P16234 3/20 0.44
FGFR2 P21802 3/20 0.44
FGFR3 P22607 3/20 0.44
KDR P35968 3/20 0.44
FYN P06241 2/20 0.44
MAPK1 P28482 2/20 0.44
EPHB3 P54753 2/20 0.44
HSD17B10 Q99714 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ESR1 P03372 1/20 0.39
POLB P06746 1/20 0.39
NR4A1 P22736 1/20 0.39
APEX1 P27695 1/20 0.39
PTPN7 P35236 1/20 0.39
RECQL P46063 1/20 0.39
BLM P54132 1/20 0.39

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
SCHEMBL4692720 0.94 FGFR4 (0.44) FGFR4EGFRPDGFRBFGFR1PDGFRA
SCHEMBL4689939 0.94 FGFR4 (0.44) FGFR4EGFRPDGFRBFGFR1PDGFRA
SCHEMBL4785400 0.93 FGFR4 (0.45) FGFR4EGFRPDGFRBFGFR1PDGFRA
SCHEMBL4689703 0.92 FGFR4 (0.44) FGFR4EGFRPDGFRBFGFR1PDGFRA
SCHEMBL4785398 0.91 FGFR4 (0.44) FGFR4EGFRPDGFRBFGFR1PDGFRA
SCHEMBL4689961 0.91 FGFR4 (0.42) FGFR4EGFRPDGFRBFGFR1PDGFRA
SCHEMBL4688510 0.90 FGFR4 (0.41) FGFR4EGFRPDGFRBFGFR1PDGFRA
SCHEMBL6706739 0.89 FGFR4 (0.41) FGFR4EGFRPDGFRBFGFR1PDGFRA
Acetic Acid SCHEMBL4686691 0.89 EGFR (0.42) FGFR4EGFRPDGFRBFGFR1PDGFRA
SCHEMBL4690934 0.89 FGFR4 (0.42) FGFR4EGFRPDGFRBFGFR1PDGFRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1556384-B1 PYRIMIDO COMPOUNDS HAVING ANTIPROLIFERATIVE ACTIVITY HOFFMANN LA ROCHE (CH) 2008-02-20 EP claimed
EP-1556384-A2 PYRIMIDO COMPOUNDS HAVING ANTIPROLIFERATIVE ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2005-07-27 EP claimed
WO-2004018472-A2 PYRIMIDO COMPOUNDS HAVING ANTIPROLIFERATIVE ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2004-03-04 WO claimed
EP-1556384-B1 PYRIMIDO COMPOUNDS HAVING ANTIPROLIFERATIVE ACTIVITY HOFFMANN LA ROCHE (CH) 2008-02-20 EP disclosed
EP-1556384-B1 PYRIMIDO COMPOUNDS HAVING ANTIPROLIFERATIVE ACTIVITY HOFFMANN LA ROCHE (CH) 2008-02-20 EP disclosed
EP-1556384-A2 PYRIMIDO COMPOUNDS HAVING ANTIPROLIFERATIVE ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2005-07-27 EP disclosed
WO-2004018472-A2 PYRIMIDO COMPOUNDS HAVING ANTIPROLIFERATIVE ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2004-03-04 WO disclosed