SCHEMBL3830906

SCHEMBL3830906

C=C(C)CNc1ncc2c(C)n(-c3cc(NC(=O)c4cccc(C(F)(F)F)c4)ccc3C)c(=O)nc2n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 8/20 0.52
MAP4K2 Q12851 8/20 0.52
LCK P06239 6/20 0.49
BTK Q06187 5/20 0.49
ABL1 P00519 4/20 0.48
BMX P51813 3/20 0.47
BCR P11274 2/20 0.47
RIPK1 Q13546 1/20 0.47
RIPK3 Q9Y572 1/20 0.47
EPHB4 P54760 2/20 0.47
SRC P12931 2/20 0.47
KDR P35968 2/20 0.47
FES P07332 1/20 0.47
RET P07949 1/20 0.47
PDGFRB P09619 1/20 0.47
KIT P10721 1/20 0.47
FGFR1 P11362 1/20 0.47
PDGFRA P16234 1/20 0.47
FLT1 P17948 1/20 0.47
FGFR3 P22607 1/20 0.47

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
SCHEMBL3831458 0.90 TNK2 (0.52) TNK2MAP4K2LCKBTKABL1
SCHEMBL3830726 0.90 TNK2 (0.64) TNK2MAP4K2LCKBTKABL1
SCHEMBL3824916 0.89 TNK2 (0.52) TNK2MAP4K2LCKBTKABL1
SCHEMBL3825109 0.87 TNK2 (0.54) TNK2MAP4K2LCKBTKABL1
SCHEMBL3829290 0.87 TNK2 (0.63) TNK2MAP4K2LCKBTKABL1
SCHEMBL3827885 0.86 TNK2 (0.55) TNK2MAP4K2LCKBTKABL1
SCHEMBL3827671 0.86 TNK2 (0.56) TNK2MAP4K2LCKBTKABL1
SCHEMBL3827719 0.86 TNK2 (0.55) TNK2MAP4K2LCKBTKABL1
SCHEMBL3825174 0.85 ABL1 (0.52) TNK2MAP4K2LCKBTKABL1
SCHEMBL3831814 0.85 TNK2 (0.56) TNK2MAP4K2LCKBTKABL1

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