SCHEMBL4599597

SCHEMBL4599597

CNC(=O)c1cn2c(C)c(C)nc2c2c1CCC(c1ccccc1)N2

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.61
CYP2C9 P11712 5/20 0.61
RIPK1 Q13546 1/20 0.36
CCNA2 P20248 3/20 0.33
CDK2 P24941 3/20 0.33
CCNA1 P78396 3/20 0.33
ADRA2A P08913 1/20 0.32
ADRA1A P35348 1/20 0.32
CNR2 P34972 1/20 0.32
GPR55 Q9Y2T6 1/20 0.32
KDM4E B2RXH2 2/20 0.32
POLB P06746 1/20 0.32
PDK2 Q15119 1/20 0.32
SCD5 Q86SK9 1/20 0.32
CASR P41180 1/20 0.32
BRD4 O60885 1/20 0.32
CGAS Q8N884 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL4600390 1.00 CYP3A4 (0.61) CYP3A4CYP2C9RIPK1CCNA2CDK2
SCHEMBL4601224 1.00 CYP3A4 (0.61) CYP3A4CYP2C9RIPK1CCNA2CDK2
Dimethylamine SCHEMBL4613323 0.91 CYP3A4 (0.62) CYP3A4CYP2C9RIPK1KDM4ECASR
SCHEMBL4600020 0.90 CYP3A4 (0.59) CYP3A4CYP2C9RIPK1CCNA2CDK2
SCHEMBL4602060 0.90 CYP3A4 (0.59) CYP3A4CYP2C9RIPK1CCNA2CDK2
SCHEMBL4600609 0.90 CYP3A4 (0.59) CYP3A4CYP2C9RIPK1CCNA2CDK2
SCHEMBL4600864 0.90 CYP3A4 (0.65) CYP3A4CYP2C9RIPK1KDM4EALDH1A1
SCHEMBL4599502 0.90 CYP3A4 (0.65) CYP3A4CYP2C9RIPK1KDM4EALDH1A1
SCHEMBL4599840 0.88 CYP3A4 (0.63) CYP3A4CYP2C9
SCHEMBL4601254 0.88 CYP3A4 (0.63) CYP3A4CYP2C9

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 4 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 claimed
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