SCHEMBL6017066

SCHEMBL6017066

S=c1[nH]c2cc3cncnc3cc2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
EGFR P00533 9/20 0.42
TDO2 P48775 2/20 0.39
PIK3CD O00329 1/20 0.39
PIK3CA P42336 1/20 0.39
ALDH1A1 P00352 3/20 0.38
HPGD P15428 2/20 0.38
APOBEC3G Q9HC16 2/20 0.37
LMNA P02545 1/20 0.37
PKM P14618 1/20 0.37
FGFR4 P22455 1/20 0.34
POLB P06746 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
PSMB8 P28062 1/20 0.33
HAVCR2 Q8TDQ0 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
Hydrochloric Acid SCHEMBL9229288 0.98 KDM4E (0.42) KDM4EMAPTMEN1KMT2AL3MBTL1
SCHEMBL30035692 0.81 GRIN2D (0.44) KDM4EMAPTMEN1KMT2AEGFR
SCHEMBL8874014 0.75 EGFR (0.58) EGFRTDO2PIK3CDPIK3CAFGFR4
SCHEMBL4233464 0.70 MAPT (0.46) KDM4EMAPTEGFRTDO2ALDH1A1
SCHEMBL27461853 0.69 EGFR (0.44) MAPTEGFRTDO2PIK3CDPIK3CA
SCHEMBL9039584 0.69 EGFR (0.41) EGFRTDO2PIK3CDPIK3CAFGFR4
SCHEMBL9039580 0.69 EGFR (0.41) EGFRTDO2PIK3CDPIK3CAFGFR4
SCHEMBL30031292 0.68 ALDH1A1 (0.50) KDM4EMAPTMEN1KMT2AL3MBTL1
SCHEMBL5374927 0.68 ALDH1A1 (0.50) KDM4EMAPTMEN1KMT2AL3MBTL1
SCHEMBL7687471 0.68 KMO (0.45) EGFRLMNATSHR

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