SCHEMBL5202204

SCHEMBL5202204

Cc1c(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cccc1Nc1nccc(-c2ccc[n+]([O-])c2)n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 19/20 0.59
KIT P10721 15/20 0.59
ABL2 P42684 12/20 0.59
BCR P11274 8/20 0.59
PDGFRA P16234 3/20 0.59
PDGFRB P09619 2/20 0.59
SRC P12931 2/20 0.59
SYK P43405 2/20 0.59
EGFR P00533 2/20 0.59
PLK4 O00444 1/20 0.59
DDX3X O00571 1/20 0.59
GAK O14976 1/20 0.59
SLC22A2 O15244 1/20 0.59
MAPK13 O15264 1/20 0.59
CA12 O43570 1/20 0.59
SLC22A3 O75751 1/20 0.59
ABCB11 O95342 1/20 0.59
CA1 P00915 1/20 0.59
CA2 P00918 1/20 0.59
LMNA P02545 1/20 0.59

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
SCHEMBL30752396 0.88 ABL1 (0.78) ABL1KITABL2BCRPDGFRA
SCHEMBL3061037 0.88 ABL1 (0.78) ABL1KITABL2BCRPDGFRA
SCHEMBL6417929 0.87 ABL1 (0.77) ABL1KITABL2BCRPDGFRA
SCHEMBL27935065 0.80 ABL1 (0.78) ABL1KITABL2BCRPDGFRA
SCHEMBL18210973 0.79 ABL1 (0.78) ABL1KITABL2BCRPDGFRA
SCHEMBL3799174 0.76 ABL1 (0.77) ABL1KITABL2BCRPDGFRA
SCHEMBL13437239 0.76 ABL1 (0.87) ABL1KITABL2BCRPDGFRA
SCHEMBL20635552 0.75 ABL1 (0.70) ABL1KITABL2BCRPDGFRA
SCHEMBL20633950 0.75 ABL1 (0.70) ABL1KITABL2BCRPDGFRA
SCHEMBL990376 0.75 ABL1 (0.81) ABL1KITABL2BCRPDGFRA

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
EP-1783126-A2 N-oxides of N-phenyl-2-pyrimidine-amine derivatives Novartis AG (CH) 2007-05-09 EP claimed