SCHEMBL3832182

SCHEMBL3832182

COc1cc(NC(=O)c2cccc(C(F)(F)F)c2)cc(-n2c(C)c3cnc(N)nc3nc2=O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.50
LCK P06239 6/20 0.50
KDM4E B2RXH2 5/20 0.50
KDR P35968 5/20 0.50
MAPK14 Q16539 3/20 0.50
BTK Q06187 3/20 0.50
KIT P10721 3/20 0.48
TEK Q02763 2/20 0.48
ABL1 P00519 1/20 0.48
FES P07332 1/20 0.48
RET P07949 1/20 0.48
PDGFRB P09619 1/20 0.48
FGFR1 P11362 1/20 0.48
SRC P12931 1/20 0.48
PDGFRA P16234 1/20 0.48
FLT1 P17948 1/20 0.48
FGFR3 P22607 1/20 0.48
EPHA3 P29320 1/20 0.48
BMX P51813 1/20 0.48
EPHB4 P54760 1/20 0.48

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
SCHEMBL3825382 0.91 LCK (0.51) MAPTLCKKDM4EKDRMAPK14
SCHEMBL3824777 0.90 MAPT (0.48) MAPTLCKKDM4EKDRMAPK14
SCHEMBL3827191 0.89 BTK (0.52) MAPTLCKKDM4EBTKMDM2
SCHEMBL3824576 0.84 TNK2 (0.63) LCKKDRMAPK14BTKKIT
SCHEMBL3829474 0.82 LCK (0.48) LCKKDRMAPK14BTKTEK
SCHEMBL3825126 0.80 BTK (0.49) MAPTLCKKDM4EBTKMDM2
SCHEMBL3825451 0.79 BTK (0.51) MAPTLCKKDRMAPK14BTK
SCHEMBL3825185 0.78 LCK (0.44) MAPTLCKKDM4EKDRMAPK14
SCHEMBL3830881 0.78 BTK (0.49) MAPTLCKKDM4EMAPK14BTK
SCHEMBL3825040 0.78 BTK (0.49) MAPTLCKKDM4EBTKKIT

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1651648-A4 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-09-02 EP claimed
JP-2007500725-A 2007-01-18 JP claimed
EP-1651648-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2006-05-03 EP claimed
WO-2005011597-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2005-02-10 WO claimed
EP-1651648-A4 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-09-02 EP disclosed
EP-1651648-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2006-05-03 EP disclosed
WO-2005011597-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2005-02-10 WO disclosed