SCHEMBL7902856

SCHEMBL7902856

COc1cc(C)c2nc3[nH]nc(C)c3c(Br)c2c1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 20/20 0.42
PDE6D O43924 4/20 0.42
PDE6A P16499 4/20 0.42
PDE6G P18545 4/20 0.42
PDE6B P35913 4/20 0.42
PDE6C P51160 4/20 0.42
PDE6H Q13956 4/20 0.42
CSNK1D P48730 1/20 0.41
PDE5A O76074 1/20 0.41
CYP3A4 P08684 3/20 0.41

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
SCHEMBL7902857 0.73 PDE10A (0.72) PDE10APDE5A
SCHEMBL7906552 0.72 PDE10A (0.49) PDE10ACSNK1D
SCHEMBL18079552 0.67 AURKA (0.52) PDE10A
SCHEMBL7908590 0.66 PDE10A (0.41) PDE10ACYP3A4
SCHEMBL9006232 0.65 AURKA (0.50) PDE10A
SCHEMBL14358249 0.64 UHRF1 (0.38) PDE10APDE6DPDE6APDE6GPDE6B
SCHEMBL14358256 0.64 PDE10A (0.33) PDE10APDE6DPDE6APDE6GPDE6B
SCHEMBL7907870 0.64 CYP3A4 (0.38) PDE10APDE5ACYP3A4
SCHEMBL9006085 0.63 POLB (0.49) PDE10A
SCHEMBL13219256 0.62 MTNR1A (0.39)

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-2010062559-A1 SUBSTITUTED PYRAZOLOQUINOLINES AND DERIVATIVES THEREOF SCHERING CORPORATION (US) 2010-06-03 WO disclosed