SCHEMBL27861663

SCHEMBL27861663

N#Cc1ccccc1N1CC(c2ccccn2)=NN(c2ccccc2)C1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.39
GRIA3 P42263 1/20 0.39
PDE4D Q08499 1/20 0.39
GRM5 P41594 10/20 0.37
DRD2 P14416 1/20 0.37
HTR2A P28223 1/20 0.37
SLC2A1 P11166 1/20 0.36
SLC2A2 P11168 1/20 0.36
SLC2A3 P11169 1/20 0.36
MAPT P10636 2/20 0.34
RAB9A P51151 1/20 0.34
PPP1CA P62136 1/20 0.34
HIF1A Q16665 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 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
SCHEMBL27581432 0.92 GRIA1 (0.39) GRIA1GRIA3PDE4DGRM5DRD2
SCHEMBL27598024 0.86 GRM5 (0.36) GRIA1GRIA3PDE4DGRM5DRD2
SCHEMBL27861795 0.85 GAA (0.39) GRIA1GRIA3PDE4DGRM5DRD2
SCHEMBL27580424 0.85 MEN1 (0.39) GRIA1GRIA3PDE4DGRM5RAB9A
SCHEMBL27861662 0.84 GRM5 (0.37) GRIA1GRIA3PDE4DGRM5MAPT
SCHEMBL27844382 0.82 DRD2 (0.48) GRM5DRD2HTR2AMAPTL3MBTL1
SCHEMBL27581556 0.82 GRM5 (0.33) GRIA1GRIA3PDE4DGRM5DRD2
SCHEMBL4040155 0.78 GRIA1 (0.42) GRIA1GRIA3PDE4DGRM5DRD2
SCHEMBL27598030 0.77 CYP2A6 (0.41) GRM5MAPTRAB9APPP1CAHIF1A
SCHEMBL4041256 0.76 GRIA1 (0.42) GRIA1GRIA3PDE4DGRM5DRD2

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-101486683-B Pyridazinone and triazinone compounds and their use as pharmaceutical formulations Sanitary Material R&D Management Co.,Ltd. (JP) 2011-12-21 CN disclosed