SCHEMBL29814708

SCHEMBL29814708

CN1CCCC(c2cccc(N)n2)C1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.45
DRD3 P35462 1/20 0.45
PARP1 P09874 2/20 0.44
IKBKB O14920 1/20 0.44
NOS3 P29474 1/20 0.43
NOS1 P29475 1/20 0.43
NOS2 P35228 1/20 0.43
MAP4K4 O95819 3/20 0.43
PARP2 Q9UGN5 1/20 0.40
PRMT5 O14744 1/20 0.40
HTR1A P08908 1/20 0.40
DRD4 P21917 1/20 0.40
KCNH2 Q12809 1/20 0.39

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
SCHEMBL23089594 1.00 DRD2 (0.45) DRD2DRD3PARP1IKBKBNOS3
SCHEMBL23114442 0.83 MAP4K4 (0.50) DRD2DRD3PARP1IKBKBMAP4K4
SCHEMBL12090447 0.83 MAP4K4 (0.50) DRD2DRD3PARP1IKBKBMAP4K4
SCHEMBL29645408 0.81 HTR1A (0.48) DRD2PARP1NOS3NOS1NOS2
SCHEMBL5338979 0.81 HTR1A (0.48) DRD2PARP1NOS3NOS1NOS2
SCHEMBL17896786 0.80 PARP1 (0.55) DRD2DRD3PARP1IKBKBMAP4K4
SCHEMBL31715424 0.80 HTR2A (0.46) DRD2MAP4K4HTR1ADRD4
Hydrochloric Acid SCHEMBL31655491 0.80 HTR1A (0.47) DRD2PARP1NOS3NOS1NOS2
SCHEMBL23103376 0.79 DRD2 (0.43) DRD2DRD3PARP1IKBKBPRMT5
SCHEMBL23467570 0.79 DRD2 (0.43) DRD2DRD3PARP1PRMT5HTR1A

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-119874700-A HPK1 antagonists and uses thereof 林伯士萨顿公司 2025-04-25 CN disclosed
CN-114945366-B HPK1 antagonists and uses thereof 林伯士萨顿公司 2025-01-07 CN disclosed
CN-114945366-A HPK1 antagonists and uses thereof 林伯士萨顿公司 2022-08-26 CN disclosed