SCHEMBL3674873

SCHEMBL3674873

CNc1ccc2c(c1)CCN(c1cccc(-c3cc(Nc4ccc(C(=O)N5CCOCC5)cn4)c(=O)[nH]c3C)c1CO)C2=O

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BTK Q06187 19/20 0.58
KDM4E B2RXH2 1/20 0.44
RAB9A P51151 1/20 0.44
CLK2 P49760 1/20 0.43

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
SCHEMBL1724590 0.85 BTK (0.79) BTKCLK2
SCHEMBL3666556 0.83 BTK (0.60) BTKKDM4ERAB9A
SCHEMBL3654050 0.80 BTK (0.50) BTKKDM4ERAB9ACLK2
SCHEMBL3671891 0.80 BTK (0.56) BTK
SCHEMBL3665173 0.79 BTK (0.51) BTKKDM4ERAB9ACLK2
SCHEMBL3211683 0.77 BTK (0.80) BTKCLK2
SCHEMBL13178747 0.77 BTK (0.80) BTKCLK2
SCHEMBL16013147 0.77 BTK (0.47) BTKKDM4ERAB9ACLK2
SCHEMBL3668896 0.76 BTK (0.52) BTKKDM4ERAB9ACLK2
SCHEMBL1724202 0.76 BTK (0.84) BTKCLK2

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