SCHEMBL31361452

SCHEMBL31361452

O=CCc1cn2ccncc2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
DRD3 P35462 1/20 0.44
HRH4 Q9H3N8 1/20 0.40
DYRK1A Q13627 2/20 0.36
CLK1 P49759 1/20 0.36
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
ERCC5 P28715 1/20 0.34
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 1/20 0.33
KDM4E B2RXH2 3/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
POLB P06746 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PDE10A Q9Y233 1/20 0.31
ROCK1 Q13464 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
SCHEMBL9570100 0.78 DRD2 (0.45) DRD2DRD4DRD3HRH4DYRK1A
SCHEMBL17466611 0.77 DRD2 (0.47) DRD2DRD4DRD3HRH4DYRK1A
SCHEMBL12223303 0.77 DRD2 (0.47) DRD2DRD4DRD3HRH4DYRK1A
SCHEMBL9966056 0.77 DRD2 (0.47) DRD2DRD4DRD3HRH4DYRK1A
SCHEMBL24158896 0.75 SMN1; SMN2 (0.56) ALDH1A1SMN1; SMN2LMNAKDM4ENPC1
SCHEMBL7983485 0.75 DRD2 (0.45) DRD2DRD4DRD3HRH4DYRK1A
SCHEMBL12224868 0.75 DRD2 (0.45) DRD2DRD4DRD3HRH4DYRK1A
SCHEMBL1272547 0.74 DRD2 (0.42) DRD2DRD4DRD3HRH4DYRK1A
SCHEMBL11037075 0.74 HRH4 (0.42) DRD2DRD4DRD3HRH4DYRK1A
SCHEMBL3523864 0.73 DRD2 (0.44) DRD2DRD4DRD3HRH4DYRK1A

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-113999232-B MAT2A inhibitors 南京正大天晴制药有限公司 2025-01-07 CN disclosed