SCHEMBL4601062

SCHEMBL4601062

COC(=O)c1cn2c(C)c(C)nc2c(N)c1C/C=C/c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.43
KDM4E B2RXH2 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.39
MAPT P10636 1/20 0.39
ATP4A P20648 3/20 0.38
ATP4B P51164 3/20 0.38
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
GABRP O00591 3/20 0.37
GABRD O14764 3/20 0.37
GABRA1 P14867 3/20 0.37
GABRB1 P18505 3/20 0.37
GABRG2 P18507 3/20 0.37
GABRB3 P28472 3/20 0.37
GABRA5 P31644 3/20 0.37
GABRA3 P34903 3/20 0.37
GABRA2 P47869 3/20 0.37
GABRB2 P47870 3/20 0.37
GABRA4 P48169 3/20 0.37
GABRE P78334 3/20 0.37

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
SCHEMBL4601067 1.00 ALDH1A1 (0.43) ALDH1A1KDM4EL3MBTL1MAPTATP4A
SCHEMBL4600316 0.90 ALDH1A1 (0.46) ALDH1A1KDM4EATP4AATP4BHDAC1
SCHEMBL4600310 0.90 ALDH1A1 (0.46) ALDH1A1KDM4EATP4AATP4BHDAC1
SCHEMBL4600669 0.89 ALDH1A1 (0.45) ALDH1A1KDM4EATP4AATP4BHDAC1
SCHEMBL4600664 0.89 ALDH1A1 (0.45) ALDH1A1KDM4EATP4AATP4BHDAC1
SCHEMBL4601572 0.88 ALDH1A1 (0.43) ALDH1A1KDM4EMAPTATP4AATP4B
SCHEMBL4601568 0.88 ALDH1A1 (0.43) ALDH1A1KDM4EMAPTATP4AATP4B
SCHEMBL4600666 0.86 ALDH1A1 (0.43) ALDH1A1KDM4EATP4AATP4BHDAC1
SCHEMBL4600661 0.86 ALDH1A1 (0.43) ALDH1A1KDM4EATP4AATP4BHDAC1
SCHEMBL4599488 0.83 MAPT (0.35) ALDH1A1KDM4EL3MBTL1MAPTATP4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1718648-B1 TRICYCLIC IMIDAZOPYRIDINES AND INTERMEDIATES FOR THE SYNTHESIS THEREOF NYCOMED GMBH (DE) 2008-04-23 EP disclosed
EP-1718648-A1 TRICYCLIC IMIDAZOPYRIDINES AND INTERMEDIATES FOR THE SYNTHESIS THEREOF Altana Pharma AG (DE) 2006-11-08 EP disclosed
WO-2005077949-A1 TRICYCLIC IMIDAZOPYRIDINES AND INTERMEDIATES FOR THE SYNTHESIS THEREOF ALTANA PHARMA AG (DE) 2005-08-25 WO disclosed