SCHEMBL3668896

SCHEMBL3668896

Cc1[nH]c(=O)c(Nc2ccc(C(=O)N3CCOCC3)cn2)cc1-c1cccc(N2CCc3cc(N(C)C)ccc3C2=O)c1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BTK Q06187 16/20 0.52
KDM4E B2RXH2 1/20 0.43
RAB9A P51151 1/20 0.43
SRC P12931 1/20 0.40
TYK2 P29597 1/20 0.39
CLK2 P49760 1/20 0.38
BDKRB1 P46663 1/20 0.37

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
SCHEMBL3666556 0.88 BTK (0.60) BTKKDM4ERAB9A
SCHEMBL1724788 0.85 BTK (0.64) BTKKDM4ERAB9ASRCCLK2
SCHEMBL3668669 0.83 BTK (0.61) BTKKDM4ERAB9ASRCTYK2
SCHEMBL1725599 0.77 BTK (0.80) BTKCLK2
SCHEMBL3215296 0.76 BTK (0.68) BTKCLK2
SCHEMBL3674873 0.76 BTK (0.58) BTKKDM4ERAB9ACLK2
SCHEMBL3218407 0.76 BTK (0.73) BTKCLK2
SCHEMBL13139723 0.75 BTK (0.68) BTKCLK2
SCHEMBL1725256 0.75 BTK (0.81) BTKCLK2
SCHEMBL3212532 0.74 BTK (0.72) 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