SCHEMBL9954749

SCHEMBL9954749

O=c1c2cc(I)ccc2nc(Cl)n1-c1c(F)cccc1F

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 6/20 0.45
PDE4A P27815 2/20 0.45
PDE4B Q07343 2/20 0.45
PDE4C Q08493 2/20 0.45
PDE4D Q08499 2/20 0.45
PDE7B Q9NP56 2/20 0.45
HCAR1 Q9BXC0 1/20 0.40
DYRK1A Q13627 1/20 0.40

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
SCHEMBL9954119 0.87 HCAR1 (0.52) HCAR1
SCHEMBL9954505 0.84 PDE7A (0.45) PDE7APDE4APDE4BPDE4CPDE4D
SCHEMBL9954005 0.84 HCAR1 (0.40) PDE4DHCAR1
SCHEMBL9954657 0.82 HPD (0.44) HCAR1
SCHEMBL9954224 0.81 CDK9 (0.38) PDE4DHCAR1DYRK1A
SCHEMBL9954457 0.81 HCAR1 (0.50) HCAR1
SCHEMBL9953129 0.80 POLB (0.41) HCAR1
SCHEMBL9953879 0.80 GLA (0.51)
SCHEMBL9953534 0.79 HCAR1 (0.43) PDE4DHCAR1
SCHEMBL9952976 0.78 LMNA (0.45) HCAR1

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-2012087938-A1 QUINAZOLINONE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-06-28 WO disclosed
WO-2012087938-A1 QUINAZOLINONE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-06-28 WO disclosed