SCHEMBL29138850

SCHEMBL29138850

Nc1nc2cc[c]cc2n2ccnc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.36
MAPK8 P45983 7/20 0.35
HTR3E A5X5Y0 1/20 0.35
HTR3B O95264 1/20 0.35
HTR3A P46098 1/20 0.35
HTR3D Q70Z44 1/20 0.35
HTR3C Q8WXA8 1/20 0.35
NUDT1 P36639 1/20 0.33
ADORA2A P29274 3/20 0.33
TLR7 Q9NYK1 2/20 0.31
GRIN2D O15399 1/20 0.30
GRIN3B O60391 1/20 0.30
GRIA1 P42261 1/20 0.30
GRIA2 P42262 1/20 0.30
GRIA3 P42263 1/20 0.30
GRIA4 P48058 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2A Q12879 1/20 0.30
GRIN2B Q13224 1/20 0.30
GRIN2C Q14957 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
SCHEMBL169235 0.78 MAPK8 (0.54) MAPK8HTR3EHTR3BHTR3AHTR3D
SCHEMBL31746758 0.78 MAPK8 (0.54) MAPK8HTR3EHTR3BHTR3AHTR3D
SCHEMBL22717083 0.74 ADORA2A (0.42) IKBKBMAPK8HTR3EHTR3BHTR3A
SCHEMBL24541113 0.69 MAPK8 (0.57) IKBKBMAPK8
SCHEMBL25823761 0.65 IKBKB (0.38) IKBKBMAPK8ADORA2AGRIA1
SCHEMBL24541135 0.65 MAPK8 (0.47) IKBKBMAPK8
SCHEMBL25299727 0.65 ADORA2A (0.53) MAPK8HTR3EHTR3BHTR3AHTR3D
SCHEMBL22717201 0.60 NUDT1 (0.32) NUDT1
SCHEMBL20600558 0.59 NUDT1 (0.38) NUDT1ADORA2ATLR7GRIN2DGRIN3B
SCHEMBL6599150 0.59 TDP1 (0.31)

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-116888120-A PRMTS inhibitors 美国安进公司 2023-10-13 CN disclosed