SCHEMBL31330182

SCHEMBL31330182

O=c1[nH]c2cc(CO)sc2n2ccnc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 3/20 0.47
GRIA2 P42262 3/20 0.47
GRIA3 P42263 3/20 0.47
GRIA4 P48058 3/20 0.47
GRIN2D O15399 1/20 0.47
GRIN3B O60391 1/20 0.47
GRIN1 Q05586 1/20 0.47
GRIN2A Q12879 1/20 0.47
GRIN2B Q13224 1/20 0.47
GRIN2C Q14957 1/20 0.47
GRIN3A Q8TCU5 1/20 0.47
PDE2A O00408 1/20 0.47
PDE6D O43924 1/20 0.47
PDE8A O60658 1/20 0.47
PDE5A O76074 1/20 0.47
PDE9A O76083 1/20 0.47
PDE8B O95263 1/20 0.47
PDE6A P16499 1/20 0.47
PDE6G P18545 1/20 0.47
PDE4A P27815 1/20 0.47

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
SCHEMBL31330064 0.74 GRIA1 (0.43) GRIA1GRIA2GRIA3GRIA4GRIN2D
SCHEMBL31386841 0.73 GRIA1 (0.33) GRIA1GRIA2GRIA3GRIA4GRIN2D
SCHEMBL707973 0.71 PDE2A (0.55) GRIA1GRIA2GRIA3GRIA4GRIN2D
SCHEMBL31330090 0.71 PARP1 (0.43) PARP1
SCHEMBL14431586 0.71 PDE2A (0.58) GRIA1GRIA2GRIA3GRIA4GRIN2D
SCHEMBL7269656 0.64 PDE2A (1.00) GRIA1GRIA2GRIA3GRIA4GRIN2D
SCHEMBL7506851 0.64 GRIA1 (1.00) GRIA1GRIA2GRIA3GRIA4GRIN2D
SCHEMBL3493681 0.64 GRIA1 (0.68) GRIA1GRIA2GRIA3GRIA4GRIN2D
SCHEMBL30989497 0.63 PDE2A (0.42) GRIA1GRIA2GRIA3GRIA4GRIN2D
SCHEMBL30989496 0.63 PDE2A (0.42) GRIA1GRIA2GRIA3GRIA4GRIN2D

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-119371425-A Nitrogen-containing heterocyclic compound, preparation method and medical application thereof 中国医药研究开发中心有限公司 2025-01-28 CN disclosed