SCHEMBL3671891

SCHEMBL3671891

Cc1c(-c2cccc(N3CCc4cc(C5CC5)ccc4C3=O)c2CO)cc(Nc2ccc(C(=O)N3CCOCC3)cn2)[nH]c1=O

nearest known ligand 0.56

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BTK Q06187 20/20 0.56

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
SCHEMBL1725810 0.84 BTK (0.59) BTK
SCHEMBL3205568 0.83 BTK (0.78) BTK
SCHEMBL3220037 0.83 BTK (0.77) BTK
SCHEMBL18199140 0.82 BTK (0.56) BTK
SCHEMBL1576736 0.81 BTK (0.62) BTK
SCHEMBL1577261 0.81 BTK (0.61) BTK
SCHEMBL3674873 0.80 BTK (0.58) BTK
SCHEMBL3207931 0.78 BTK (0.67) BTK
SCHEMBL17645813 0.78 BTK (0.58) BTK
SCHEMBL3199875 0.77 BTK (0.66) BTK

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-2242749-A1 NOVEL PYRIDINONES AND PYRIDAZINONES F. Hoffmann-La Roche AG (CH) 2010-10-27 EP disclosed
WO-2009098144-A1 NOVEL PYRIDINONES AND PYRIDAZINONES F. HOFFMANN-LA ROCHE AG (CH) 2009-08-13 WO disclosed