SCHEMBL30285494

SCHEMBL30285494

O=C1NCCc2ccc(-c3cncnc3)cc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 10/20 0.54
PARP1 P09874 6/20 0.54
F7 P08709 1/20 0.54
F3 P13726 1/20 0.54
PARP11 Q9NR21 5/20 0.50
MAPKAPK2 P49137 2/20 0.48
PDPK1 O15530 1/20 0.47
TDP2 O95551 1/20 0.47
NTRK2 Q16620 2/20 0.45
TYRO3 Q06418 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45
DYRK1B Q9Y463 1/20 0.45
JAK2 O60674 1/20 0.44
NTRK1 P04629 1/20 0.44
MET P08581 1/20 0.44
FGFR1 P11362 1/20 0.44
PRKACA P17612 1/20 0.44
KDR P35968 1/20 0.44
MAP2K2 P36507 1/20 0.44
FLT3 P36888 1/20 0.44

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
SCHEMBL5253621 0.80 PARP10 (0.77) PARP10PARP1F7F3PARP11
SCHEMBL13820261 0.78 PARP10 (0.76) PARP10PARP1F7F3PARP11
SCHEMBL797294 0.78 PARP10 (0.76) PARP10PARP1F7F3PARP11
SCHEMBL13229196 0.78 ASIC3 (0.40) PARP10PARP11MAPKAPK2JAK2
SCHEMBL30285341 0.77 PARP10 (0.52) PARP10PARP1F7F3PARP11
SCHEMBL26463093 0.77 PARP10 (0.56) PARP10PARP1F7F3PARP11
SCHEMBL30494146 0.77 PARP10 (0.56) PARP10PARP1F7F3PARP11
SCHEMBL31266571 0.74 DRD2 (0.49) PARP10PARP11JAK2
SCHEMBL15570967 0.74 PRF1 (0.57) PARP10PARP1F7F3PARP11
SCHEMBL29892591 0.74 PARP10 (0.71) PARP10PARP11MAPKAPK2TDP2PKN2

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-111825656-B Inhibitors of protein arginine methyltransferase 5 (PRMT 5), pharmaceutical products thereof, and methods thereof 南京药石科技股份有限公司 2023-03-31 CN disclosed