SCHEMBL2829404

SCHEMBL2829404

CCn1nc(C(=O)O)c(Cc2ccccc2Br)c(Nc2cccnc2)c1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 4/20 0.39
TBXAS1 P24557 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
JAK3 P52333 1/20 0.35
KCNH2 Q12809 1/20 0.35
SGMS2 Q8NHU3 1/20 0.35
NPC1 O15118 1/20 0.35
MAPK1 P28482 1/20 0.35
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
PKM P14618 1/20 0.34
NAMPT P43490 1/20 0.34
POLB P06746 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
KDM4E B2RXH2 1/20 0.34
PDE4A P27815 1/20 0.34

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
SCHEMBL2829407 0.86 FPR2 (0.40) PDE4BTBXAS1SMN1; SMN2KMT2AMEN1
SCHEMBL2826007 0.85 KDM4C (0.35) PDE4BSMN1; SMN2KMT2AMEN1PKM
SCHEMBL2828691 0.85 PDE4B (0.42) PDE4BTBXAS1SMN1; SMN2JAK1TYK2
SCHEMBL2829191 0.84 PDE4B (0.39) PDE4BTBXAS1SMN1; SMN2NPC1MAPK1
SCHEMBL2828381 0.81 KMT2A (0.37) PDE4BSMN1; SMN2MAPK1ALDH1A1L3MBTL1
SCHEMBL2826523 0.78 MAPT (0.45) SMN1; SMN2KMT2AMEN1
SCHEMBL2828832 0.77 PDE4B (0.43) PDE4BTBXAS1SMN1; SMN2JAK1TYK2
SCHEMBL1997905 0.75 PDE4B (0.47) PDE4BTBXAS1SMN1; SMN2JAK1TYK2
SCHEMBL2828388 0.75 PDE4B (0.39) PDE4BSMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL2825329 0.74 PDE4B (0.40) PDE4BTBXAS1SMN1; SMN2JAK1TYK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1758869-B1 PYRIDAZIN-3(2H)-ONE DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS ALMIRALL SA (ES) 2010-12-22 EP claimed