SCHEMBL5397486

SCHEMBL5397486

CCn1nc(-c2ccc[n+]([O-])c2)cc(Nc2ccc(C#N)cc2)c1=O.CCn1nc(-c2ccccc2)cc(Nc2ccc(C(=O)OC)cc2)c1=O.CCn1nc(-c2ccccc2)cc(Nc2ccc(CO)cc2)c1=O.CCn1nc(-c2cccnc2)cc(Nc2ccc(C#N)cc2)c1=O.Cn1nc(-c2cccnc2)cc(Nc2ccc(C#N)cc2)c1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
IRAK4 Q9NWZ3 2/20 0.36
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
PGGT1B P53609 1/20 0.35
HDAC1 Q13547 1/20 0.34
SLC2A1 P11166 1/20 0.34
SLC2A3 P11169 1/20 0.34
SLC2A4 P14672 1/20 0.34
PDE4B Q07343 4/20 0.34
ADORA1 P30542 2/20 0.34
ABL1 P00519 1/20 0.33
PDGFRB P09619 1/20 0.33
BCR P11274 1/20 0.33
PDGFRA P16234 1/20 0.33
PRKCA P17252 1/20 0.33
TEK Q02763 2/20 0.33
ABCB1 P08183 1/20 0.33
ABCC1 P33527 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
SCHEMBL4057102 0.86 MEN1 (0.44) MEN1KMT2AIRAK4FNTAFNTB
SCHEMBL4054077 0.79 ABCG2 (0.40) PDE4BADORA1ABCB1ABCC1ABCG2
SCHEMBL4049335 0.76 TBXAS1 (0.46) PDE4BADORA1ABL1PDGFRBBCR
SCHEMBL4050378 0.76 TBXAS1 (0.46) HDAC1PDE4BADORA1
SCHEMBL4053260 0.75 MEN1 (0.55) MEN1KMT2APDE4BABCC1ABCG2
SCHEMBL4053319 0.74 CYP11B2 (0.46) ABL1PDGFRBBCRPDGFRAPRKCA
SCHEMBL4061317 0.73 ABCG2 (0.54) PDE4BADORA1ABCB1ABCC1ABCG2
SCHEMBL4053653 0.73 PDE4B (0.44) MEN1KMT2APDE4BADORA1CYP1A2
SCHEMBL5751896 0.72 MAPT (0.46) MEN1KMT2APDE4BKDM4ECYP1A2
SCHEMBL4062409 0.70 PDE4B (0.40) PDE4BADORA1

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
JP-2007510689-A 2007-04-26 JP claimed
EP-1682519-A1 PYRIDAZIN-3(2H)-ONE DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS Almirall Prodesfarma, S.A. (ES) 2006-07-26 EP claimed
WO-2005049581-A1 PYRIDAZIN-3 (2H) -ONE DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS ALMIRALL PRODESFARMA, S.A. (ES) 2005-06-02 WO claimed