SCHEMBL4599481

SCHEMBL4599481

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
ALDH1A1 P00352 6/20 0.34
KDM4E B2RXH2 4/20 0.34
ATP4A P20648 2/20 0.33
ATP4B P51164 2/20 0.33
CPB2 Q96IY4 1/20 0.33
HSD17B10 Q99714 2/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
LMNA P02545 2/20 0.31
POLB P06746 1/20 0.31
HTT P42858 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
TP53 P04637 1/20 0.31
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
TDP1 Q9NUW8 2/20 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
SCHEMBL4599488 1.00 MAPT (0.35) MAPTL3MBTL1ALDH1A1KDM4EATP4A
SCHEMBL4600269 0.92 ALDH1A1 (0.35) L3MBTL1ALDH1A1KDM4EATP4AATP4B
SCHEMBL4600263 0.92 ALDH1A1 (0.35) L3MBTL1ALDH1A1KDM4EATP4AATP4B
SCHEMBL4599487 0.91 L3MBTL1 (0.33) MAPTL3MBTL1ALDH1A1KDM4EATP4A
SCHEMBL4600936 0.91 JAK2 (0.34) MAPTALDH1A1KDM4EATP4AATP4B
SCHEMBL4600465 0.91 ALDH1A1 (0.36) ALDH1A1KDM4EATP4AATP4BCPB2
SCHEMBL4600457 0.91 ALDH1A1 (0.36) ALDH1A1KDM4EATP4AATP4BCPB2
SCHEMBL4600103 0.90 ALDH1A1 (0.34) ALDH1A1KDM4EATP4AATP4BPPARG
SCHEMBL4611846 0.87 ALDH1A1 (0.36) L3MBTL1ALDH1A1KDM4EATP4AATP4B
SCHEMBL4611844 0.87 ALDH1A1 (0.36) L3MBTL1ALDH1A1KDM4EATP4AATP4B

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