SCHEMBL30067828

SCHEMBL30067828

O=C1COc2c(Br)cccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.54
PSMB5 P28074 1/20 0.47
PIM1 P11309 1/20 0.39
CSNK1A1 P48729 1/20 0.39
CDK5 Q00535 1/20 0.39
ROCK1 Q13464 1/20 0.39
DYRK1A Q13627 1/20 0.39
LRRK2 Q5S007 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
DYRK1B Q9Y463 1/20 0.39
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
ADRA1A P35348 1/20 0.38
KDM4E B2RXH2 3/20 0.37
HSD17B10 Q99714 3/20 0.37
MAPT P10636 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
PARP10 Q53GL7 1/20 0.37

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
SCHEMBL1707759 1.00 PARP1 (0.54) PARP1PSMB5PIM1CSNK1A1CDK5
SCHEMBL2370234 0.81 MAOB (0.39) PARP1PIM1CSNK1A1CDK5ROCK1
SCHEMBL5534959 0.78 PARP1 (0.56) PARP1PSMB5KDM4EHSD17B10MAPT
SCHEMBL9130084 0.77 MAOA (0.52) KDM4EHSD17B10MAPTMAOAMAOB
SCHEMBL12178135 0.76 PARP1 (0.54) PARP1PSMB5ADRA2AADRA2BADRA2C
SCHEMBL3976344 0.76 PARP1 (0.54) PARP1PSMB5ADRA2AKDM4EHSD17B10
SCHEMBL5534964 0.76 PSMB5 (0.61) PARP1PSMB5KDM4EHSD17B10MAPT
SCHEMBL30779660 0.76 PARP1 (0.54) PARP1PSMB5ADRA2AKDM4EHSD17B10
SCHEMBL18331030 0.76 PARP1 (0.54) PARP1PSMB5ADRA2AKDM4EHSD17B10
SCHEMBL8948724 0.76 PARP1 (0.59) PARP1PSMB5PIM1CSNK1A1DYRK1A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119930620-A Tetrafused ring compound, preparation method, pharmaceutical composition and application thereof 和径医药科技(上海)有限公司 2025-05-06 CN disclosed
EP-4337198-A1 POLO LIKE KINASE 4 INHIBITORS Oric Pharmaceuticals, Inc. (US) 2024-03-20 EP disclosed
CN-110770211-B Alpha, beta unsaturated amide compound 协和麒麟株式会社 2023-09-19 CN disclosed
WO-2022240876-A1 POLO LIKE KINASE 4 INHIBITORS ORIC PHARMACEUTICALS, INC. (US) 2022-11-17 WO disclosed