SCHEMBL2915280

SCHEMBL2915280

COc1c(C#Cc2ncc(NS(C)(=O)=O)cc2C)cc(N2C(=O)CCNC2=O)cc1C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 1/20 0.34
RIPK2 O43353 2/20 0.32
ACVR1 Q04771 2/20 0.32
NOD2 Q9HC29 2/20 0.32
CYP3A4 P08684 2/20 0.31

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
SCHEMBL2916365 0.87 CRBN (0.40) CRBNCYP3A4
SCHEMBL2915746 0.86 CRBN (0.37) CRBNRIPK2ACVR1NOD2CYP3A4
SCHEMBL2915572 0.83 CRBN (0.40) CRBNCYP3A4
SCHEMBL1530691 0.82 CRBN (0.34) CRBNRIPK2ACVR1NOD2CYP3A4
SCHEMBL2908256 0.82 CRBN (0.42) CRBNACVR1CYP3A4
SCHEMBL2913987 0.81 CRBN (0.40) CRBNCYP3A4
SCHEMBL2913169 0.81 CRBN (0.40) CRBNCYP3A4
SCHEMBL2913326 0.81 CRBN (0.38) CRBNACVR1CYP3A4
SCHEMBL2913397 0.81 CRBN (0.33) CRBN
SCHEMBL2914780 0.81 CRBN (0.32) CRBN

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