SCHEMBL2823264

SCHEMBL2823264

CCn1nc(-c2cncc(Br)c2)cc(N)c1=O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 12/20 0.43
ADORA2A P29274 3/20 0.35
ADORA2B P29275 3/20 0.35
ADORA1 P30542 3/20 0.35
TBXAS1 P24557 1/20 0.35
FPR1 P21462 1/20 0.34
FPR2 P25090 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
ALDH1A1 P00352 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
GAA P10253 1/20 0.33
PDPK1 O15530 1/20 0.33
CYP11B2 P19099 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL4053217 0.85 CYP11B2 (0.42) PDE4BADORA2AADORA2BADORA1TBXAS1
SCHEMBL2824627 0.81 PDE4B (0.53) PDE4BADORA2AADORA2BADORA1KDM4E
SCHEMBL8443792 0.81 MEN1 (0.44) PDE4BKDM4EMAPTALDH1A1MEN1
SCHEMBL4059984 0.80 TBXAS1 (0.56) PDE4BADORA2AADORA2BADORA1TBXAS1
SCHEMBL4053231 0.77 AURKB (0.48) PDE4BADORA2AADORA1TBXAS1KDM4E
SCHEMBL4053270 0.76 SMN1; SMN2 (0.49) PDE4BADORA2AADORA1TBXAS1MAPT
SCHEMBL4055324 0.74 GAA (0.49) KDM4EMAPTL3MBTL1ALDH1A1MEN1
SCHEMBL4062839 0.74 PRMT5 (0.36) PDE4BADORA2AADORA2BADORA1TBXAS1
SCHEMBL4054889 0.73 PDE4B (0.44) PDE4BADORA2AADORA2BADORA1KDM4E
SCHEMBL2822304 0.73 PDE4B (0.80) PDE4BADORA2AADORA2BADORA1

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
WO-2010069504-A1 (3-OXO)PYRIDIN-4-YLUREA DERIVATIVES AS PDE4 INHIBITORS ALMIRALL, S.A. (ES) 2010-06-24 WO disclosed
EP-2196465-A1 (3-oxo)pyridazin-4-ylurea derivatives as PDE4 inhibitors Almirall, S.A. (ES) 2010-06-16 EP disclosed
EP-2196465-A1 (3-oxo)pyridazin-4-ylurea derivatives as PDE4 inhibitors Almirall, S.A. (ES) 2010-06-16 EP disclosed