SCHEMBL4600666

SCHEMBL4600666

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

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ATP4A P20648 4/20 0.38
ATP4B P51164 4/20 0.38
RAB9A P51151 1/20 0.35
HDAC1 Q13547 4/20 0.35
HDAC2 Q92769 3/20 0.35
KMT2A Q03164 1/20 0.34
HDAC3 O15379 1/20 0.33
GRM4 Q14833 1/20 0.32
HDAC6 Q9UBN7 2/20 0.32
HDAC8 Q9BY41 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
P2RX7 Q99572 1/20 0.31

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
SCHEMBL4600661 1.00 ALDH1A1 (0.43) ALDH1A1KDM4EATP4AATP4BRAB9A
SCHEMBL5570706 0.90 ATP4A (0.40) ALDH1A1KDM4EATP4AATP4BRAB9A
SCHEMBL5570709 0.90 ATP4A (0.40) ALDH1A1KDM4EATP4AATP4BRAB9A
SCHEMBL4600310 0.90 ALDH1A1 (0.46) ALDH1A1KDM4EATP4AATP4BHDAC1
SCHEMBL4600316 0.90 ALDH1A1 (0.46) ALDH1A1KDM4EATP4AATP4BHDAC1
SCHEMBL4600664 0.89 ALDH1A1 (0.45) ALDH1A1KDM4EATP4AATP4BHDAC1
SCHEMBL4600669 0.89 ALDH1A1 (0.45) ALDH1A1KDM4EATP4AATP4BHDAC1
SCHEMBL4601572 0.86 ALDH1A1 (0.43) ALDH1A1KDM4EATP4AATP4BHDAC1
SCHEMBL4601568 0.86 ALDH1A1 (0.43) ALDH1A1KDM4EATP4AATP4BHDAC1
SCHEMBL4601067 0.86 ALDH1A1 (0.43) ALDH1A1KDM4EATP4AATP4BHDAC1

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