SCHEMBL13769059

SCHEMBL13769059

O=Cc1nc(C2CC2)nc(N[C@H](c2ccccc2)[C@@H](O)c2ccccc2)c1Cl

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 3/20 0.34
▸ SLC10A1 Q14973 1/20 0.34
▸ AOC3 Q16853 1/20 0.34
▸ OGG1 O15527 1/20 0.32
▸ MKNK2 Q9HBH9 4/20 0.31
▸ MKNK1 Q9BUB5 3/20 0.31
▸ SLC6A9 P48067 1/20 0.31
▸ CCNA2 P20248 1/20 0.31
▸ CDK2 P24941 1/20 0.31
▸ CCNA1 P78396 1/20 0.31
▸ MAN2A1 Q16706 2/20 0.30
▸ MAN1B1 Q9UKM7 2/20 0.30
▸ CDK7 P50613 1/20 0.30
▸ CDK9 P50750 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
SCHEMBL11918081 0.87 PDE10A (0.34) PDE10AOGG1SLC6A9CCNA2CDK2
SCHEMBL12738438 0.85 PDE10A (0.38) PDE10AOGG1CDK7CDK9
SCHEMBL12737587 0.83 PDE10A (0.50) PDE10ACDK2
SCHEMBL12713120 0.80 PDE10A (0.37) PDE10AAOC3MKNK2MKNK1SLC6A9
SCHEMBL12713129 0.80 PDE10A (0.37) PDE10AAOC3MKNK2MKNK1SLC6A9
SCHEMBL12737608 0.73 PDE10A (0.35) PDE10AOGG1
SCHEMBL12738177 0.72 ROCK2 (0.43) PDE10A
SCHEMBL12738166 0.70 PDE10A (0.35) PDE10A
SCHEMBL13769322 0.70 ROCK2 (0.36) PDE10A
SCHEMBL12713170 0.69 PDE10A (0.38) PDE10ACDK7CDK9

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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