SCHEMBL2910784

SCHEMBL2910784

COC(=O)c1cc(NS(C)(=O)=O)ccc1C#Cc1cc(-n2c(=O)cc[nH]c2=O)cc(C(C)(C)C)c1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 1/20 0.41
CYP3A4 P08684 3/20 0.36
CHEK1 O14757 1/20 0.33
AURKA O14965 1/20 0.33
DAPK3 O43293 1/20 0.33
JAK2 O60674 1/20 0.33
ABL1 P00519 1/20 0.33
NTRK1 P04629 1/20 0.33
FYN P06241 1/20 0.33
CSF1R P07333 1/20 0.33
RET P07949 1/20 0.33
IGF1R P08069 1/20 0.33
MET P08581 1/20 0.33
PDGFRB P09619 1/20 0.33
PIM1 P11309 1/20 0.33
FGFR1 P11362 1/20 0.33
PRKACA P17612 1/20 0.33
LTK P29376 1/20 0.33
GRK5 P34947 1/20 0.33
KDR P35968 1/20 0.33

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
SCHEMBL3105519 0.89 CRBN (0.42) CRBNCYP3A4
SCHEMBL2913314 0.88 CRBN (0.42) CRBNCYP3A4
SCHEMBL2909603 0.88 CRBN (0.42) CRBNCYP3A4
SCHEMBL2910591 0.87 CRBN (0.37) CRBNCYP3A4
SCHEMBL2913952 0.87 CRBN (0.40) CRBNCYP3A4
SCHEMBL478603 0.87 CRBN (0.42) CRBNCYP3A4
SCHEMBL2907652 0.84 CYP3A4 (0.46) CRBNCYP3A4CHEK1AURKADAPK3
SCHEMBL1530897 0.83 CRBN (0.60) CRBNCYP3A4CHEK1AURKADAPK3
SCHEMBL2907207 0.83 CRBN (0.39) CRBNCYP3A4FYN
SCHEMBL2913914 0.80 CRBN (0.42) CRBNCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2222646-A1 URACIL OR THYMINE DERIVATIVE FOR TREATING HEPATITIS C Abbott Laboratories (US) 2010-09-01 EP disclosed
WO-2009039127-A1 URACIL OR THYMINE DERIVATIVE FOR TREATING HEPATITIS C ABBOTT LABORATORIES (US) 2009-03-26 WO disclosed