SCHEMBL3986200

SCHEMBL3986200

C1=CC(c2ncccn2)=N[N]1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 1/20 0.31
ADRB2 P07550 1/20 0.31

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
SCHEMBL333232 0.73 KDM4E (0.52)
SCHEMBL9465582 0.69 KMO (0.33)
SCHEMBL9465723 0.66 AOC3 (0.32)
SCHEMBL6327318 0.65 HDAC8 (0.41) CLK4ADRB2
SCHEMBL18729418 0.64 NISCH (0.42)
SCHEMBL9466191 0.64 LTA4H (0.37)
SCHEMBL171853 0.64 HDAC8 (0.47) CLK4ADRB2
SCHEMBL1435891 0.63 CYP2A6 (0.54)
SCHEMBL4270187 0.61 HDAC8 (0.44) CLK4ADRB2
Hydrochloric Acid SCHEMBL6534749 0.61 HDAC8 (0.44) CLK4ADRB2

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
EP-2034993-A2 PYRAZINONES AS CELLULAR PROLIFERATION INHIBITORS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2009-03-18 EP disclosed
WO-2007149448-A2 PYRAZINONES AS CELLULAR PROLIFERATION INHIBITORS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-12-27 WO disclosed