SCHEMBL5049784

SCHEMBL5049784

CC1=Nc2c(Cl)ncnc2[N]1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
KDM4E B2RXH2 1/20 0.30
SELE P16581 1/20 0.30
VCAM1 P19320 1/20 0.30

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
SCHEMBL83401 0.63
SCHEMBL8885368 0.61 PDE4A (0.30) PDE4APDE4BPDE4CPDE4D
SCHEMBL3135851 0.61 PDE4A (0.30) PDE4APDE4BPDE4CPDE4D
SCHEMBL2254845 0.60 KDR (0.31)
SCHEMBL503157 0.59
SCHEMBL1350019 0.58
SCHEMBL859422 0.58
SCHEMBL9967035 0.57
SCHEMBL4803936 0.57 HTR2C (0.47) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL2607973 0.55 ENPP1 (0.49) PDE4APDE4BPDE4CPDE4DKDM4E

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
WO-2008131501-A2 NEW ANTI-VIRAL NUCLEOSIDE ANALOGS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2008-11-06 WO claimed
WO-2008131501-A2 NEW ANTI-VIRAL NUCLEOSIDE ANALOGS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2008-11-06 WO disclosed