SCHEMBL13362147

SCHEMBL13362147

Cn1c(Nc2ccc(Oc3ncccc3N)cc2)nc2ccccc21

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 13/20 0.68
NPC1 O15118 2/20 0.60
RAB9A P51151 1/20 0.60
GAA P10253 1/20 0.44
KDR P35968 2/20 0.44
AKT1 P31749 1/20 0.44
PLK1 P53350 1/20 0.44
PTK2 Q05397 1/20 0.44
AURKB Q96GD4 1/20 0.44
HTT P42858 1/20 0.44
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
TEK Q02763 1/20 0.43

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
SCHEMBL2491583 0.87 PDE10A (0.71) PDE10ANPC1RAB9AGAAKDR
SCHEMBL2462411 0.86 PDE10A (0.68) PDE10ANPC1RAB9AGAAKDR
SCHEMBL2488399 0.86 PDE10A (0.68) PDE10ANPC1RAB9AGAAKDR
SCHEMBL3319583 0.86 PDE10A (0.68) PDE10ANPC1RAB9AGAAKDR
SCHEMBL3320311 0.84 PDE10A (0.64) PDE10ANPC1RAB9AGAAKDR
SCHEMBL2493015 0.84 PDE10A (0.64) PDE10ANPC1RAB9AKDR
SCHEMBL2486654 0.84 PDE10A (0.64) PDE10ANPC1RAB9A
SCHEMBL2493989 0.83 PDE10A (0.63) PDE10ANPC1RAB9A
SCHEMBL2489700 0.81 PDE10A (1.00) PDE10ANPC1RAB9APDE4APDE4B
SCHEMBL2490606 0.80 PDE10A (1.00) PDE10ANPC1RAB9APDE4APDE4B

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-2010057126-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2010-05-20 WO disclosed