SCHEMBL8337671

SCHEMBL8337671

CC(C)(C)Cc1ccc2c(c1)C(=O)NS2(=O)=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.54
DAPK3 O43293 1/20 0.54
MAP4K4 O95819 1/20 0.54
RET P07949 1/20 0.54
PIM1 P11309 1/20 0.54
LTK P29376 1/20 0.54
GRK5 P34947 1/20 0.54
CSNK1A1 P48729 1/20 0.54
CDK8 P49336 1/20 0.54
PRKX P51817 1/20 0.54
LIMK1 P53667 1/20 0.54
CDK5 Q00535 1/20 0.54
ACVR1 Q04771 1/20 0.54
PTK2 Q05397 1/20 0.54
TYRO3 Q06418 1/20 0.54
PRKAA1 Q13131 1/20 0.54
DYRK1A Q13627 1/20 0.54
NTRK3 Q16288 1/20 0.54
LRRK2 Q5S007 1/20 0.54
CLK4 Q9HAZ1 1/20 0.54

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
SCHEMBL12431395 0.83 CHEK1 (0.57) CHEK1DAPK3MAP4K4RETPIM1
SCHEMBL12745913 0.81 CHEK1 (0.51) CHEK1DAPK3MAP4K4RETPIM1
SCHEMBL28122890 0.80 RET (0.57) CHEK1DAPK3MAP4K4RETPIM1
SCHEMBL18790806 0.79 CHEK1 (0.53) CHEK1DAPK3MAP4K4RETPIM1
SCHEMBL16283453 0.77 CHEK1 (0.57) CHEK1DAPK3MAP4K4RETPIM1
SCHEMBL18790755 0.76 CHEK1 (0.53) CHEK1DAPK3MAP4K4RETPIM1
SCHEMBL7281455 0.75 CHEK1 (0.51) CHEK1DAPK3MAP4K4RETPIM1
SCHEMBL29643014 0.75 CHEK1 (0.48) CHEK1DAPK3MAP4K4RETPIM1
SCHEMBL19066303 0.75 CHEK1 (0.48) CHEK1DAPK3MAP4K4RETPIM1
SCHEMBL9724852 0.75 CA12 (0.53) CHEK1DAPK3MAP4K4RETPIM1

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-2004043367-A2 FUSED HETEROCYCLIC COMPOUNDS AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2004-05-27 WO disclosed