SCHEMBL28055083

SCHEMBL28055083

COc1cc2ncnc(C(=O)c3ncnc4cc(OC)c(OC)cc34)c2cc1OC

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.73
ACHE P22303 1/20 0.52
BACE1 P56817 1/20 0.52
EGFR P00533 6/20 0.51
GAK O14976 2/20 0.51
SRC P12931 1/20 0.51
KDR P35968 9/20 0.51
LCK P06239 3/20 0.50
JAK3 P52333 2/20 0.50
PDGFRA P16234 2/20 0.50
MKNK1 Q9BUB5 1/20 0.50
PDGFRB P09619 1/20 0.50
ENPP1 P22413 1/20 0.50
RET P07949 3/20 0.49
KIF5B P33176 2/20 0.49
RIPK2 O43353 1/20 0.49
STK10 O94804 1/20 0.49
FLT3 P36888 1/20 0.49
AAK1 Q2M2I8 1/20 0.49
Q6ZSR9 Q6ZSR9 1/20 0.49

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
SCHEMBL28225926 0.85 PDE10A (0.60) PDE10AACHEBACE1EGFRGAK
SCHEMBL17780927 0.84 PDE10A (0.78) PDE10AACHEBACE1EGFRGAK
SCHEMBL5864878 0.81 PDE10A (0.65) PDE10AEGFRGAKSRCKDR
SCHEMBL18158149 0.80 PDE10A (0.79) PDE10AEGFRSRCKDRPDGFRA
SCHEMBL17781038 0.80 PDE10A (0.71) PDE10AEGFRKDRPDGFRA
SCHEMBL2476964 0.78 RET (0.55) PDE10AEGFRGAKSRCKDR
SCHEMBL30264706 0.78 PDE10A (0.52) PDE10AEGFRGAKKDRJAK3
SCHEMBL27740786 0.78 PDE10A (0.52) PDE10AEGFRGAKSRCKDR
SCHEMBL23075143 0.76 KDR (0.62) EGFRGAKSRCKDRLCK
SCHEMBL1985538 0.76 LCK (0.66) ACHEBACE1EGFRGAKSRC

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
CN-105408312-A Quinoline derivatives ONO PHARMACEUTICAL CO 2016-03-16 CN disclosed