SCHEMBL2829191

SCHEMBL2829191

CCn1nc(C(=O)O)c(Cc2ccccn2)c(Nc2cccnc2)c1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 3/20 0.39
ALDH1A1 P00352 4/20 0.38
LMNA P02545 2/20 0.38
MAPK1 P28482 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TBXAS1 P24557 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
NAMPT P43490 2/20 0.37
NOTUM Q6P988 1/20 0.36
GAA P10253 1/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
METAP2 P50579 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35

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
SCHEMBL2828691 0.86 PDE4B (0.42) PDE4BALDH1A1LMNAMEN1KMT2A
SCHEMBL2829404 0.84 PDE4B (0.39) PDE4BALDH1A1MAPK1MEN1KMT2A
SCHEMBL2829407 0.83 FPR2 (0.40) PDE4BMEN1KMT2ATBXAS1SMN1; SMN2
SCHEMBL2826523 0.79 MAPT (0.45) MEN1KMT2ASMN1; SMN2TSHRMAPT
SCHEMBL2828832 0.78 PDE4B (0.43) PDE4BALDH1A1MEN1KMT2ATBXAS1
SCHEMBL1997905 0.75 PDE4B (0.47) PDE4BALDH1A1LMNAMEN1KMT2A
SCHEMBL2825329 0.74 PDE4B (0.40) PDE4BALDH1A1MEN1KMT2ATBXAS1
SCHEMBL4050108 0.74 PDE4B (0.63) PDE4BALDH1A1LMNAMAPK1TBXAS1
SCHEMBL2001351 0.74 NPC1 (0.43) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL1997288 0.74 PDE4B (0.46) PDE4BALDH1A1LMNAMEN1KMT2A

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