SCHEMBL1702647

SCHEMBL1702647

COc1c(C(C)(C)C)cc(-n2ccc(=O)[nH]c2=O)c2ncc(C3CC(CNS(C)(=O)=O)CN3)cc12

nearest known ligand 0.38

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 1/20 0.38

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
SCHEMBL2447555 0.83 CRBN (0.40) CRBN
SCHEMBL1702711 0.81 CRBN (0.42) CRBN
SCHEMBL1702739 0.74 CRBN (0.55) CRBN
SCHEMBL2447558 0.73 CRBN (0.37) CRBN
SCHEMBL1702654 0.73 CYP3A4 (0.33)
SCHEMBL1702807 0.67 CRBN (0.47) CRBN
SCHEMBL12302371 0.67 KDM4E (0.33)
SCHEMBL2448595 0.65 AURKA (0.36) CRBN
SCHEMBL1703017 0.65 IRAK1 (0.35) CRBN
SCHEMBL2452207 0.65 IRAK1 (0.35) 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-2440528-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2012-04-18 EP disclosed
WO-2010142656-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2010-12-16 WO disclosed