SCHEMBL26070976

SCHEMBL26070976

Cn1nc(COc2cccc(-c3nn[nH]c3N)c2)cc1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.41
PTGS1 P23219 2/20 0.39
GABRA1 P14867 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
MPO P05164 1/20 0.37
FFAR1 O14842 1/20 0.37
IGF1R P08069 1/20 0.37
GRM5 P41594 2/20 0.36
CYSLTR2 Q9NS75 1/20 0.36
CYSLTR1 Q9Y271 1/20 0.36
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
PIK3CG P48736 1/20 0.35
PRKDC P78527 1/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL26071014 0.87 FFAR1 (0.38) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL18006371 0.86 PTGS2 (0.39) PTGS2PTGS1GABRA1GABRG2GABRB3
SCHEMBL26071059 0.82 PFKFB3 (0.39) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL26070973 0.81 GABRA1 (0.41) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL26071055 0.78 ADORA2A (0.38) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL26070967 0.78 CNR1 (0.36) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL26071061 0.77 ADORA2A (0.38) IGF1R
SCHEMBL26070961 0.75 MEN1 (0.42) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL26071016 0.75 SLC22A12 (0.38) FFAR1CYSLTR2CYSLTR1SMN1; SMN2KDM4E
SCHEMBL26071075 0.75 CYSLTR2 (0.36) GABRA1GABRG2GABRB3GABRA5GABRA3

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
EP-4219477-A1 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2023-08-02 EP disclosed