SCHEMBL27755572

SCHEMBL27755572

COc1cccc(N2CC(c3ccccn3)=NN(c3ccccc3C#N)C2C=O)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 2/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ ABL1 P00519 1/20 0.37
▸ BCR P11274 1/20 0.37
▸ AR P10275 3/20 0.36
▸ PIK3CD O00329 1/20 0.35
▸ PRKCZ Q05513 1/20 0.34
▸ MAPT P10636 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ NR3C2 P08235 1/20 0.34
▸ POLB P06746 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ GRIA1 P42261 1/20 0.33
▸ GRIA3 P42263 1/20 0.33
▸ PDE4D Q08499 1/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ GFER P55789 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
SCHEMBL27771612 0.88 GRIA1 (0.38) PRKCZMAPTALDH1A1NR3C2GRIA1
SCHEMBL27580466 0.88 PRKCZ (0.35) PRKCZMAPTALDH1A1GRIA1GRIA3
SCHEMBL27598051 0.88 NPSR1 (0.40) NPSR1TDP1ABL1BCRPRKCZ
SCHEMBL27755584 0.85 PDE5A (0.40) NPSR1MAPTALDH1A1NR3C2KMT2A
SCHEMBL27598121 0.84 PIK3CD (0.37) ABL1BCRPIK3CDPRKCZMAPT
SCHEMBL27755573 0.84 GRM5 (0.33) PIK3CDPRKCZNR3C2GRIA1GRIA3
SCHEMBL27735013 0.83 PDE10A (0.37) ALDH1A1GAA
SCHEMBL27735035 0.82 GRIA1 (0.38) PRKCZNR3C2GRIA1GRIA3PDE4D
SCHEMBL27755568 0.82 GRM5 (0.34) PRKCZALDH1A1NR3C2NPC1GRIA1
SCHEMBL27734999 0.81 PRKCZ (0.34) PRKCZMAPTALDH1A1NR3C2GRIA1

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 3 patents. 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
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-100473647-C Pyridazinone and triazinone compounds and their use as pharmaceutical formulations EISAI CO LTD (JP) 2009-04-01 — — CN disclosed
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