SCHEMBL13894050

SCHEMBL13894050

CCNC(=O)Nc1cc(-c2cccc(NC(=O)c3ccc(C4(F)CC4)cc3)c2CO)c[nH]c1=O

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 3/20 0.41
▸ ITK Q08881 14/20 0.41
▸ FLT3 P36888 8/20 0.38
▸ SRC P12931 7/20 0.38
▸ KIT P10721 6/20 0.38
▸ TTK P33981 4/20 0.38
▸ AURKA O14965 3/20 0.38
▸ AURKB Q96GD4 3/20 0.38
▸ INCENP Q9NQS7 3/20 0.38
▸ CLK2 P49760 1/20 0.36

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
SCHEMBL13894013 0.85 BTK (0.56) BTKITKFLT3SRCKIT
SCHEMBL13894022 0.85 ITK (0.49) BTKITKFLT3SRCKIT
SCHEMBL13894122 0.85 ITK (0.54) BTKITKFLT3SRCKIT
SCHEMBL3868663 0.85 BTK (0.60) BTKCLK2
SCHEMBL13894054 0.82 CLK2 (0.42) BTKITKFLT3SRCKIT
SCHEMBL13894040 0.80 BTK (0.44) BTKITKFLT3SRCKIT
SCHEMBL13893960 0.80 BTK (0.43) BTKITKFLT3SRCKIT
SCHEMBL3874728 0.75 BTK (0.61) BTKCLK2
SCHEMBL3870962 0.75 BTK (0.70) BTKITKFLT3SRCKIT
SCHEMBL108327 0.69 BTK (0.81) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009053269-A1 NOVEL KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-04-30 — — WO disclosed
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