SCHEMBL27598024

SCHEMBL27598024

N#Cc1ccccc1N1CC(c2ccccn2)=NN(c2ccccc2Br)C1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 5/20 0.36
FFAR1 O14842 1/20 0.32
GRIA1 P42261 1/20 0.32
GRIA3 P42263 1/20 0.32
PDE4D Q08499 1/20 0.32
HTR7 P34969 1/20 0.32
PKM P14618 1/20 0.31
DRD2 P14416 1/20 0.31
NAMPT P43490 1/20 0.30
GHSR Q92847 1/20 0.30

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
SCHEMBL27861663 0.86 GRIA1 (0.39) GRM5GRIA1GRIA3PDE4DDRD2
SCHEMBL27861795 0.85 GAA (0.39) GRM5FFAR1GRIA1GRIA3PDE4D
SCHEMBL27580424 0.85 MEN1 (0.39) GRM5FFAR1GRIA1GRIA3PDE4D
SCHEMBL27581432 0.85 GRIA1 (0.39) GRM5GRIA1GRIA3PDE4DDRD2
SCHEMBL27598018 0.83 TDP1 (0.38) GRM5HTR7
SCHEMBL27861698 0.83 KMT2A (0.41) HTR7
SCHEMBL27844382 0.83 DRD2 (0.48) GRM5FFAR1HTR7DRD2
SCHEMBL28793687 0.81 TACR3 (0.42) DRD2
SCHEMBL27844383 0.80 FLT3 (0.41) HTR7
SCHEMBL27598043 0.80 RAB9A (0.34) GRM5HTR7PKM

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1458924-A Pyridazinone and triazinone compounds and their use as pharmaceutical formulations EISAI CO LTD (JP) 2003-11-26 CN claimed
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
CN-101486683-A Pyridazinone and triazinone compounds and their use as pharmaceutical formulations EISAI R&D MAN CO LTD (JP) 2009-07-22 CN disclosed
CN-1458924-A Pyridazinone and triazinone compounds and their use as pharmaceutical formulations EISAI CO LTD (JP) 2003-11-26 CN disclosed