SCHEMBL2826007

SCHEMBL2826007

CCn1nc(C(=O)O)c(Cc2ccccc2Br)c(Nc2cnccc2C)c1=O

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 5/20 0.35
PDE4B Q07343 5/20 0.35
PDE4A P27815 2/20 0.35
PDE4C Q08493 2/20 0.35
PDE4D Q08499 2/20 0.35
CYP1A2 P05177 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
PKM P14618 1/20 0.33
MAPT P10636 3/20 0.33
USP2 O75604 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL2828388 0.89 PDE4B (0.39) KDM4CPDE4BPDE4APDE4CPDE4D
SCHEMBL2828120 0.88 KDM4C (0.38) KDM4CPDE4BPDE4APDE4CPDE4D
SCHEMBL2829346 0.85 KDM4C (0.36) KDM4CPDE4BPDE4APDE4CPDE4D
SCHEMBL2829404 0.85 PDE4B (0.39) PDE4BPDE4APDE4CPDE4DSMN1; SMN2
SCHEMBL2828381 0.85 KMT2A (0.37) PDE4BSMN1; SMN2MEN1KMT2APKM
SCHEMBL2829340 0.85 KDM4C (0.41) KDM4CPDE4BPDE4APDE4CPDE4D
SCHEMBL2828108 0.80 KDM4C (0.41) KDM4CPDE4BPDE4APDE4CPDE4D
SCHEMBL2829015 0.80 ALDH1A1 (0.46) MEN1KMT2APKMMAPT
SCHEMBL1997196 0.79 PDE4B (0.34) KDM4CPDE4BPDE4APDE4CPDE4D
SCHEMBL2828114 0.79 ROCK2 (0.39) KDM4CKMT2A

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