SCHEMBL6212461

SCHEMBL6212461

COc1ccc(N2Cc3cnc(N(C(=O)[C@@H](N)CCCCN)c4ccccc4)nc3N(c3ccccc3)C2=O)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 9/20 0.38
FGFR4 P22455 8/20 0.38
PDGFRB P09619 3/20 0.38
FGFR1 P11362 3/20 0.38
PDGFRA P16234 3/20 0.38
FGFR2 P21802 3/20 0.38
FGFR3 P22607 3/20 0.38
KDR P35968 3/20 0.38
FYN P06241 2/20 0.38
MAPK1 P28482 2/20 0.38
EPHB3 P54753 2/20 0.38
PLG P00747 2/20 0.37
DPP8 Q6V1X1 2/20 0.34
DPP9 Q86TI2 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
CSF1R P07333 1/20 0.33
MAT2A P31153 1/20 0.33
PRKACA P17612 1/20 0.33
PRKACG P22612 1/20 0.33
PRKACB P22694 1/20 0.33

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
SCHEMBL6706766 0.90 EGFR (0.38) EGFRFGFR4PDGFRBFGFR1PDGFRA
SCHEMBL4686754 0.90 EGFR (0.38) EGFRFGFR4PDGFRBFGFR1PDGFRA
SCHEMBL14290437 0.90 EGFR (0.38) EGFRFGFR4PDGFRBFGFR1PDGFRA
SCHEMBL4689937 0.90 FGFR4 (0.40) EGFRFGFR4PDGFRBFGFR1PDGFRA
Acetic Acid SCHEMBL4687570 0.89 EGFR (0.37) EGFRFGFR4PDGFRBFGFR1PDGFRA
SCHEMBL4690757 0.89 FGFR4 (0.39) EGFRFGFR4PDGFRBFGFR1PDGFRA
SCHEMBL4686791 0.89 FGFR4 (0.39) EGFRFGFR4PDGFRBFGFR1PDGFRA
Acetic Acid SCHEMBL4686845 0.87 FGFR4 (0.38) EGFRFGFR4PDGFRBFGFR1PDGFRA
SCHEMBL4686694 0.85 FGFR4 (0.39) EGFRFGFR4PDGFRBFGFR1PDGFRA
SCHEMBL4785400 0.84 FGFR4 (0.45) EGFRFGFR4PDGFRBFGFR1PDGFRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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