SCHEMBL13769322

SCHEMBL13769322

O=Cc1nc(C2CC2)nc(NC(CO)Cc2ccc(Cl)cc2)c1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 1/20 0.36
▸ PRKACA P17612 1/20 0.36
▸ RPS6KB1 P23443 1/20 0.36
▸ IRAK1 P51617 1/20 0.36
▸ PRKX P51817 1/20 0.36
▸ LIMK1 P53667 1/20 0.36
▸ PRKG2 Q13237 1/20 0.36
▸ ROCK1 Q13464 1/20 0.36
▸ PRKG1 Q13976 1/20 0.36
▸ PKN2 Q16513 1/20 0.36
▸ HIPK4 Q8NE63 1/20 0.36
▸ AURKB Q96GD4 1/20 0.36
▸ CLK4 Q9HAZ1 1/20 0.36
▸ CSNK1G1 Q9HCP0 1/20 0.36
▸ NPY1R P25929 1/20 0.36
▸ NPY5R Q15761 1/20 0.36
▸ PDE4B Q07343 3/20 0.35
▸ PDE4D Q08499 3/20 0.35
▸ ENPP2 Q13822 2/20 0.34
▸ MDM2 Q00987 1/20 0.33

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
SCHEMBL1609791 0.81 ENPP2 (0.36) ROCK2PRKACARPS6KB1IRAK1PRKX
SCHEMBL12738166 0.79 PDE10A (0.35) ADORA3PDE10A
SCHEMBL1610254 0.72 PDE10A (0.43) PDE4BPDE4DKDM4EMEN1MAPT
SCHEMBL1608814 0.72 PDE10A (0.43) PDE4BPDE4DKDM4EMEN1MAPT
SCHEMBL12738438 0.71 PDE10A (0.38) PDE4BPDE4DMEN1KMT2APDE10A
SCHEMBL12738552 0.70 PDE10A (0.46) PDE4BPDE4DPDE10A
SCHEMBL12737587 0.70 PDE10A (0.50) KDM4EMEN1MAPTKMT2APDE10A
SCHEMBL13769059 0.70 PDE10A (0.34) PDE10A
SCHEMBL12738494 0.68 PDE10A (0.43) PDE4BPDE4DPDE10A
SCHEMBL11918081 0.67 PDE10A (0.34) PDE10A

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-2009081112-A2 CHEMICAL COMPOUNDS SYNGENTA LIMITED (GB) 2009-07-02 — — WO disclosed
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