SCHEMBL13894122

SCHEMBL13894122

CCNC(=O)Nc1cc(-c2cccc(NC(=O)c3ccc(N(C)C)cc3)c2CO)c[nH]c1=O

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITK Q08881 10/20 0.54
KIT P10721 4/20 0.54
SRC P12931 4/20 0.54
FLT3 P36888 4/20 0.54
BTK Q06187 4/20 0.44
TTK P33981 3/20 0.40
AURKA O14965 2/20 0.40
AURKB Q96GD4 2/20 0.40
INCENP Q9NQS7 2/20 0.40
KCNK3 O14649 2/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ABL1 P00519 1/20 0.36
BCR P11274 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 0.89 BTK (0.56) ITKKITSRCFLT3BTK
SCHEMBL13894022 0.86 ITK (0.49) ITKKITSRCFLT3BTK
SCHEMBL13894050 0.85 BTK (0.41) ITKKITSRCFLT3BTK
SCHEMBL3874826 0.83 BTK (0.64) BTK
SCHEMBL13894117 0.81 ITK (0.53) ITKKITSRCFLT3BTK
SCHEMBL13894038 0.79 ITK (0.47) ITKKITSRCFLT3BTK
SCHEMBL13894290 0.79 ITK (0.58) ITKKITSRCFLT3BTK
SCHEMBL3870962 0.78 BTK (0.70) ITKKITSRCFLT3BTK
SCHEMBL13894111 0.73 BTK (0.53) ITKKITSRCFLT3BTK
SCHEMBL13894036 0.73 ITK (0.54) ITKKITSRCFLT3BTK

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