SCHEMBL20106739

SCHEMBL20106739

CC(F)c1ccc2nc(C3CC3)nn2c1Cl

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 2/20 0.32
PDE4A P27815 2/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE10A Q9Y233 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
SCHEMBL20088518 0.89 PDE4D (0.31) PDE4D
SCHEMBL20088499 0.78 PDE10A (0.38) PDE4DPDE4APDE4BPDE4CPDE10A
SCHEMBL20088505 0.75 PDE4D (0.33) PDE4DPDE4APDE4BPDE4CPDE10A
SCHEMBL20106861 0.74 PDE10A (0.31) PDE10A
SCHEMBL20094342 0.74 XPO1 (0.35) PDE4D
SCHEMBL20088556 0.69 HRH4 (0.34) PDE4DPDE4APDE4BPDE4CPDE10A
SCHEMBL20088601 0.66 ADORA2A (0.37)
SCHEMBL20088551 0.66 PDE4A (0.36) PDE4DPDE4APDE4BPDE4C
SCHEMBL20088517 0.64 PDE10A (0.32) PDE10A
SCHEMBL25340830 0.62 HRH4 (0.37) PDE4DPDE4APDE4BPDE4CPDE10A

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
WO-2018080917-A1 FUSED BICYLIC PYRIDINE COMPOUNDS AND THEIR USE AS AMPA RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-05-03 WO disclosed