SCHEMBL4600936

SCHEMBL4600936

CNC(=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 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
ATP4A P20648 2/20 0.33
ATP4B P51164 2/20 0.33
POLB P06746 1/20 0.32
CPB2 Q96IY4 1/20 0.31
PPARG P37231 1/20 0.30
PPARA Q07869 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30
MCHR1 Q99705 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
SCHEMBL4600269 0.91 ALDH1A1 (0.35) KDM4EALDH1A1ATP4AATP4BCPB2
SCHEMBL4600263 0.91 ALDH1A1 (0.35) KDM4EALDH1A1ATP4AATP4BCPB2
SCHEMBL4600938 0.91 JAK2 (0.33) JAK2JAK1KDM4EALDH1A1ATP4A
SCHEMBL4599481 0.91 MAPT (0.35) KDM4EALDH1A1ATP4AATP4BPOLB
SCHEMBL4599488 0.91 MAPT (0.35) KDM4EALDH1A1ATP4AATP4BPOLB
SCHEMBL4600457 0.90 ALDH1A1 (0.36) JAK2JAK1KDM4EALDH1A1ATP4A
SCHEMBL4600465 0.90 ALDH1A1 (0.36) JAK2JAK1KDM4EALDH1A1ATP4A
SCHEMBL4600103 0.89 ALDH1A1 (0.34) KDM4EALDH1A1ATP4AATP4BPPARG
SCHEMBL4611846 0.86 ALDH1A1 (0.36) KDM4EALDH1A1ATP4AATP4BPOLB
SCHEMBL4611844 0.86 ALDH1A1 (0.36) KDM4EALDH1A1ATP4AATP4BPOLB

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