SCHEMBL3665173

SCHEMBL3665173

CNc1cc2ccccc2c(=O)n1-c1cccc(-c2cc(Nc3ccc(C(=O)N4CCOCC4)cn3)c(=O)[nH]c2C)c1CO

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BTK Q06187 18/20 0.51
CLK2 P49760 1/20 0.45
SRC P12931 1/20 0.44
KDM4E B2RXH2 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL1725221 0.82 BTK (0.75) BTKCLK2
SCHEMBL1726615 0.81 BTK (0.61) BTK
SCHEMBL3672695 0.81 BTK (0.61) BTKCLK2SRCKDM4ERAB9A
SCHEMBL3654050 0.80 BTK (0.50) BTKCLK2SRCKDM4ERAB9A
SCHEMBL3674873 0.79 BTK (0.58) BTKCLK2KDM4ERAB9A
SCHEMBL1725887 0.77 BTK (0.77) BTKCLK2
SCHEMBL16013978 0.74 BTK (0.74) BTKCLK2SRCKDM4ERAB9A
SCHEMBL16013147 0.74 BTK (0.47) BTKCLK2SRCKDM4ERAB9A
SCHEMBL1724381 0.70 BTK (0.66) BTKCLK2
SCHEMBL3668669 0.70 BTK (0.61) BTKCLK2SRCKDM4ERAB9A

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