SCHEMBL30477208

SCHEMBL30477208

NC(=O)c1ccccc1-c1cc(-c2ccccn2)cn(-c2ccccc2)c1=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.64
GRIA3 P42263 1/20 0.64
PDE4D Q08499 1/20 0.64
MAPK1 P28482 1/20 0.49
GRM5 P41594 4/20 0.45
BCAT2 O15382 1/20 0.43
CHEK2 O96017 1/20 0.41
CAPN1 P07384 1/20 0.41
TGFBR1 P36897 2/20 0.39
DHODH Q02127 2/20 0.39
PARP1 P09874 1/20 0.39
PARP2 Q9UGN5 1/20 0.39
TGFBR2 P37173 1/20 0.38
NTRK1 P04629 1/20 0.37
CSNK1A1 P48729 1/20 0.37
TYRO3 Q06418 1/20 0.37
DYRK1B Q9Y463 1/20 0.37
CAMK1D Q8IU85 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
BTK Q06187 1/20 0.36

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
SCHEMBL1886198 1.00 GRIA1 (0.64) GRIA1GRIA3PDE4DMAPK1GRM5
SCHEMBL30477207 0.91 GRIA1 (0.67) GRIA1GRIA3PDE4DMAPK1GRM5
SCHEMBL1892150 0.89 GRIA1 (0.64) GRIA1GRIA3PDE4DMAPK1GRM5
SCHEMBL1882401 0.88 GRIA1 (0.63) GRIA1GRIA3PDE4DMAPK1GRM5
SCHEMBL1885448 0.86 GRIA1 (0.61) GRIA1GRIA3PDE4DGRM5KDM4E
SCHEMBL1893233 0.86 GRIA1 (0.61) GRIA1GRIA3PDE4DMAPK1GRM5
SCHEMBL1881040 0.83 GRIA1 (0.69) GRIA1GRIA3PDE4DMAPK1GRM5
SCHEMBL1884216 0.83 GRIA1 (0.69) GRIA1GRIA3PDE4DMAPK1GRM5
SCHEMBL1887704 0.83 GRIA1 (0.71) GRIA1GRIA3PDE4DMAPK1GRM5
SCHEMBL1884948 0.81 GRIA1 (0.70) GRIA1GRIA3PDE4DGRM5CHEK2

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-116429937-A Detection method for related substances in pirenzepine bulk drug and application thereof 山东达因海洋生物制药股份有限公司 2023-07-14 CN claimed