Sugi Predict

Sugi Predict / Compounds / SCHEMBL2907207

SCHEMBL2907207

SCHEMBL2907207

COc1c(C#Cc2ccc(NS(C)(=O)=O)cn2)cc(-n2c(=O)cc[nH]c2=O)cc1C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 1/20 0.39
▸ CYP3A4 P08684 3/20 0.36
▸ CYP17A1 P05093 2/20 0.31
▸ FLT3 P36888 1/20 0.31
▸ BRD4 O60885 1/20 0.30
▸ MAP3K11 Q16584 1/20 0.30
▸ FYN P06241 1/20 0.30

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
SCHEMBL2915640 0.89 CRBN (0.34) CRBNCYP3A4MAP3K11
SCHEMBL478603 0.87 CRBN (0.42) CRBNCYP3A4BRD4
SCHEMBL2913314 0.86 CRBN (0.42) CRBNCYP3A4CYP17A1BRD4
SCHEMBL2909603 0.85 CRBN (0.42) CRBNCYP3A4BRD4
SCHEMBL3105519 0.85 CRBN (0.42) CRBNCYP3A4BRD4
SCHEMBL2910784 0.83 CRBN (0.41) CRBNCYP3A4FYN
SCHEMBL1530679 0.83 CRBN (0.59) CRBNCYP3A4CYP17A1BRD4
SCHEMBL2913952 0.82 CRBN (0.40) CRBNCYP3A4
SCHEMBL2907834 0.80 CRBN (0.35) CRBNCYP3A4
SCHEMBL1530424 0.80 CRBN (0.37) CRBNCYP3A4FYN

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