SCHEMBL5194474

SCHEMBL5194474

O=C(O)c1ccc2[nH]ncc2c1NC1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.45
TDO2 P48775 2/20 0.45
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
APAF1 O14727 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
BLM P54132 1/20 0.44
KMT2A Q03164 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CCNB2 O95067 1/20 0.42
CCNE2 O96020 1/20 0.42
CDK1 P06493 1/20 0.42
CCNB1 P14635 1/20 0.42
CCNE1 P24864 1/20 0.42
CDK2 P24941 1/20 0.42
CCNB3 Q8WWL7 1/20 0.42
PDE4B Q07343 2/20 0.41

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
SCHEMBL4340262 0.82 PDE4B (0.54) KDM4EMEN1APAF1ALDH1A1MAPT
SCHEMBL2102211 0.72 JAK2 (0.60) JAK2
SCHEMBL8340716 0.71 PDE4B (0.54) CCNB2CCNE2CDK1CCNB1CCNE1
SCHEMBL8062076 0.70 CCNA2 (0.43) IDO1ALDH1A1HSD17B10CDK2
SCHEMBL4339577 0.69 PDE4B (0.53) MEN1MAPTKMT2ACCNB2CCNE2
SCHEMBL8342425 0.69 PDE4B (0.70) PDE4BAURKARPS6KB1
SCHEMBL3769138 0.69 HPGDS (0.60) KDM4EMEN1APAF1ALDH1A1MAPT
SCHEMBL25286660 0.68 NOS1 (0.44) IDO1TDO2ALDH1A1CDK2
SCHEMBL1600742 0.68 CCNA2 (0.42) IDO1TDO2MAPK1CDK2JAK2
SCHEMBL13999326 0.68 CCNA2 (0.45) IDO1TDO2KDM4EMEN1ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1737857-A1 PYRAZOLO[3,4-B] PYRIDINE COMPOUNDS, AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LIMITED (GB) 2007-01-03 EP disclosed
WO-2005058892-A1 PYRAZOLO [3,4-B] PYRIDINE COMPOUNDS, AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LIMITED (GB) 2005-06-30 WO disclosed