SCHEMBL6174791

SCHEMBL6174791

CCn1nc(-c2cccnc2)c(C(C)=O)c(Nc2cccc(F)c2)c1=O.CCn1nc(-c2cccnc2)c(C(C)=O)c(Nc2cccc3ccccc23)c1=O.CCn1nc(-c2ccncc2)c(C(C)=O)c(Nc2cccc(Cl)c2)c1=O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 3/20 0.46
TBXAS1 P24557 1/20 0.41
PARP1 P09874 2/20 0.38
MAPT P10636 2/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
ALDH1A1 P00352 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
FADS1 O60427 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ACHE P22303 1/20 0.35
BACE1 P56817 1/20 0.35
PIM1 P11309 2/20 0.35
PIM2 Q9P1W9 2/20 0.35
CSNK1D P48730 1/20 0.35
CSNK1E P49674 1/20 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
SCHEMBL1654217 0.97 PDE4B (0.43) PDE4BTBXAS1PARP1MAPTABCG2
SCHEMBL1654229 0.91 PDE4B (0.52) PDE4BPARP1MAPTALDH1A1L3MBTL1
SCHEMBL3036227 0.85 TBXAS1 (0.55) PDE4BTBXAS1MAPTALDH1A1L3MBTL1
SCHEMBL3029504 0.85 PDE4B (0.56) PDE4BTBXAS1PARP1ALDH1A1MEN1
SCHEMBL1652540 0.85 PDE4B (0.56) PDE4BTBXAS1ABCG2ALDH1A1L3MBTL1
SCHEMBL1651617 0.83 PDE4B (0.54) PDE4BTBXAS1PARP1MAPTALDH1A1
SCHEMBL3033443 0.82 PDE4B (0.59) PDE4BPARP1MAPTMEN1KMT2A
SCHEMBL3036159 0.82 PDE4B (0.56) PDE4BTBXAS1MAPTALDH1A1L3MBTL1
SCHEMBL1653670 0.82 PDE4B (0.59) PDE4BKMT2A
SCHEMBL3022322 0.82 PDE4B (0.49) PDE4BTBXAS1ALDH1A1L3MBTL1

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-1575926-A1 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES Almirall Prodesfarma, S.A. (ES) 2005-09-21 EP disclosed
WO-2004058729-A1 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES ALMIRALL PRODESFARMA SA (ES) 2004-07-15 WO disclosed