SCHEMBL15780207

SCHEMBL15780207

C=C=C(Nc1ccn2cc(-c3ccccc3)nc2n1)c1c(C(=O)NCc2ncco2)cnn1C

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 17/20 0.55
TP53 P04637 2/20 0.34
CDK1 P06493 1/20 0.33
PIM1 P11309 1/20 0.33
MAPKAPK2 P49137 1/20 0.33
GSK3A P49840 1/20 0.33
PLK1 P53350 1/20 0.33
AURKB Q96GD4 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
CLK1 P49759 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 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
SCHEMBL2384309 0.91 PDE10A (0.64) PDE10A
SCHEMBL2384493 0.78 PDE10A (0.71) PDE10AMAPT
SCHEMBL2397245 0.78 PDE10A (0.66) PDE10ATP53RAB9A
SCHEMBL2400200 0.77 PDE10A (0.67) PDE10A
SCHEMBL2397398 0.77 PDE10A (0.63) PDE10ARAB9AKMT2A
SCHEMBL2386816 0.77 PDE10A (0.60) PDE10A
SCHEMBL2401858 0.77 PDE10A (0.64) PDE10AKMT2A
SCHEMBL2396915 0.77 PDE10A (0.64) PDE10A
SCHEMBL2387936 0.77 PDE10A (0.64) PDE10A
SCHEMBL2384492 0.77 PDE10A (0.64) 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
EP-2552918-B1 N-(IMIDAZOPYRIMIDIN-7-YL)-HETEROARYLAMIDE DERIVATIVES AND THEIR USE AS PDE10A INHIBITORS HOFFMANN LA ROCHE (CH) 2014-06-11 EP disclosed