SCHEMBL4600465

SCHEMBL4600465

Cc1nc2c(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c(CC=Cc3ccccc3)c(C(N)=O)cn2c1C

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP3A4 P08684 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
ATP4A P20648 3/20 0.34
ATP4B P51164 3/20 0.34
JAK2 O60674 2/20 0.31
JAK1 P23458 2/20 0.31
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
CPB2 Q96IY4 1/20 0.30
NR1H2 P55055 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
SCHEMBL4600457 1.00 ALDH1A1 (0.36) ALDH1A1KDM4ECYP3A4CYP2C9CYP1A2
SCHEMBL4600269 0.93 ALDH1A1 (0.35) ALDH1A1KDM4EATP4AATP4BPPARG
SCHEMBL4600263 0.93 ALDH1A1 (0.35) ALDH1A1KDM4EATP4AATP4BPPARG
SCHEMBL4600463 0.91 ALDH1A1 (0.35) ALDH1A1KDM4ECYP3A4CYP2C9CYP1A2
SCHEMBL4599488 0.91 MAPT (0.35) ALDH1A1KDM4ECYP1A2CYP2C19ATP4A
SCHEMBL4600103 0.91 ALDH1A1 (0.34) ALDH1A1KDM4EATP4AATP4BPPARG
SCHEMBL4599481 0.91 MAPT (0.35) ALDH1A1KDM4ECYP1A2CYP2C19ATP4A
SCHEMBL4600936 0.90 JAK2 (0.34) ALDH1A1KDM4EATP4AATP4BJAK2
SCHEMBL4611844 0.88 ALDH1A1 (0.36) ALDH1A1KDM4ECYP3A4CYP2C9CYP1A2
SCHEMBL4611846 0.88 ALDH1A1 (0.36) ALDH1A1KDM4ECYP3A4CYP2C9CYP1A2

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