SCHEMBL6017064

SCHEMBL6017064

S=C1N=c2cc3cncnc3cc2=N1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EGFR P00533 9/20 0.43
PIK3CD O00329 1/20 0.37
PIK3CA P42336 1/20 0.37
FGFR4 P22455 1/20 0.32
TDO2 P48775 2/20 0.31
IMPDH2 P12268 1/20 0.30

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
Hydrochloric Acid SCHEMBL9229280 0.98 EGFR (0.42) EGFRPIK3CDPIK3CAFGFR4TDO2
SCHEMBL8874014 0.76 EGFR (0.58) EGFRPIK3CDPIK3CAFGFR4TDO2
SCHEMBL31554558 0.68 EGFR (0.46) EGFRPIK3CDPIK3CAFGFR4TDO2
SCHEMBL29756110 0.68 EGFR (0.39) EGFRPIK3CDPIK3CAIMPDH2
SCHEMBL30326091 0.68 EGFR (0.39) EGFRPIK3CDPIK3CAIMPDH2
SCHEMBL6017066 0.68 KDM4E (0.44) EGFRPIK3CDPIK3CAFGFR4TDO2
SCHEMBL29551582 0.67 EGFR (0.48) EGFRPIK3CDPIK3CAFGFR4
SCHEMBL2190665 0.67 EGFR (0.48) EGFRPIK3CDPIK3CAFGFR4TDO2
SCHEMBL28181384 0.67 EGFR (0.48) EGFRPIK3CDPIK3CAFGFR4
SCHEMBL7222157 0.67 EGFR (0.59) EGFRPIK3CDPIK3CAFGFR4TDO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1638567-A1 COMPOSITION COMPRISING A PULMONARY SURFACTANT AND A PDE5 INHIBITOR FOR THE TREATMENT OF LUNG DISEASES ALTANA Pharma AG (DE) 2006-03-29 EP disclosed
EP-1628682-A2 COMPOSITION COMPRISING A PDE4 INHIBITOR AND A PDE5 INHIBITOR ALTANA Pharma AG (DE) 2006-03-01 EP disclosed
WO-2004110450-A1 COMPOSITION COMPRISING A PULMONARY SURFACTANT AND A PDE5 INHIBITOR FOR THE TREATMENT OF LUNG DISEASES ALTANA PHARMA AG (DE) 2004-12-23 WO disclosed
WO-2004103407-A2 COMPOSITION COMPRISING A PDE4 INHIBITOR AND A PDE5 INHIBITOR ALTANA PHARMA AG (DE) 2004-12-02 WO disclosed