SCHEMBL30459657

SCHEMBL30459657

[2H]N1Cc2c(F)cccc2C1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 2/20 0.41
DYRK1A Q13627 2/20 0.41
CLK4 Q9HAZ1 2/20 0.41
PIM1 P11309 1/20 0.41
CSNK1A1 P48729 1/20 0.41
ROCK1 Q13464 1/20 0.41
LRRK2 Q5S007 1/20 0.41
DYRK1B Q9Y463 1/20 0.41
SRD5A1 P18405 1/20 0.41
TYMS P04818 1/20 0.39
PIK3CD O00329 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
MAPK1 P28482 1/20 0.38
IKBKB O14920 1/20 0.36
LTK P29376 1/20 0.36
MST1R Q04912 1/20 0.36
PARP1 P09874 3/20 0.35
PARP10 Q53GL7 3/20 0.35
PARP11 Q9NR21 3/20 0.35

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
SCHEMBL1078443 0.81 CDK5 (0.61) CDK5DYRK1ACLK4PIM1CSNK1A1
SCHEMBL29871952 0.81 CDK5 (0.61) CDK5DYRK1ACLK4PIM1CSNK1A1
SCHEMBL22904170 0.74 TDP2 (0.52) SRD5A1PGR
SCHEMBL29378538 0.74 ACHE (0.49) CA9CA1CA2CA7
SCHEMBL30459611 0.70 SRD5A1 (0.44) SRD5A1TYMSMAPK1IKBKBPARP1
SCHEMBL6421827 0.70 PARP1 (0.64) CDK5DYRK1ACLK4PIM1CSNK1A1
SCHEMBL29587371 0.70 PARP1 (0.64) CDK5DYRK1ACLK4PIM1CSNK1A1
SCHEMBL29634952 0.70 SRD5A1 (0.42) SRD5A1TYMSMAPK1IKBKBTYR
SCHEMBL29376253 0.68 CA12 (0.63) CLK4DYRK1BSRD5A1PARP1PARP10
SCHEMBL15154660 0.68 CA12 (0.63) CLK4DYRK1BSRD5A1PARP1PARP10

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
WO-2023104155-A1 LIGAND COMPOUNDS FOR E3 UBIQUITIN LIGASE, PROTEIN DEGRADERS DEVELOPED ON BASIS OF LIGAND COMPOUNDS, AND USES THEREOF 标新生物医药科技(上海)有限公司 2023-06-15 WO disclosed