SCHEMBL2828862

SCHEMBL2828862

CCn1nc(C(=O)O)c(C(C)c2ccccc2)c(Nc2cnccc2C)c1=O

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 6/20 0.38
PDE4B Q07343 5/20 0.38
ROCK2 O75116 2/20 0.37
DHODH Q02127 1/20 0.37
CYP1A2 P05177 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
PDE4A P27815 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
TBXAS1 P24557 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
SCHEMBL2823459 0.95 KDM4C (0.38) KDM4CPDE4BROCK2DHODHCYP1A2
SCHEMBL2825391 0.89 KDM4C (0.40) KDM4CPDE4BDHODHCYP1A2SMN1; SMN2
SCHEMBL2825199 0.84 ADRA2A (0.40) KDM4CPDE4BKMT2AMEN1MAPT
SCHEMBL2825329 0.82 PDE4B (0.40) PDE4BROCK2SMN1; SMN2KMT2AMEN1
SCHEMBL2829340 0.81 KDM4C (0.41) KDM4CPDE4BCYP1A2SMN1; SMN2PDE4A
SCHEMBL2828120 0.81 KDM4C (0.38) KDM4CPDE4BCYP1A2SMN1; SMN2KMT2A
SCHEMBL1997947 0.80 PDE4B (0.45) KDM4CPDE4BCYP1A2SMN1; SMN2
SCHEMBL1995150 0.79 PDE4B (0.40) KDM4CPDE4BROCK2DHODHCYP1A2
SCHEMBL2826007 0.77 KDM4C (0.35) KDM4CPDE4BCYP1A2SMN1; SMN2KMT2A
SCHEMBL2828388 0.77 PDE4B (0.39) KDM4CPDE4BCYP1A2SMN1; SMN2KMT2A

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