SCHEMBL3825652

SCHEMBL3825652

C=Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1-n1c(C)c2cnc(Nc3ccc(C)nc3C)nc2nc1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BMX P51813 5/20 0.44
ABL1 P00519 4/20 0.43
TNK2 Q07912 4/20 0.43
MAP4K2 Q12851 4/20 0.43
BCR P11274 3/20 0.43
RIPK3 Q9Y572 2/20 0.43
RIPK1 Q13546 1/20 0.43
DDR2 Q16832 4/20 0.42
LCK P06239 5/20 0.42
MAPK14 Q16539 4/20 0.42
KDR P35968 3/20 0.42
BRAF P15056 2/20 0.42
JAK3 P52333 2/20 0.42
TEK Q02763 1/20 0.42
BTK Q06187 3/20 0.41
LMNA P02545 2/20 0.41
MAPK3 P27361 2/20 0.41
EGFR P00533 2/20 0.41
TEC P42680 2/20 0.41
ESYT2 A0FGR8 1/20 0.41

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
SCHEMBL3831469 0.86 TNK2 (0.54) BMXABL1TNK2MAP4K2BCR
SCHEMBL3831815 0.84 TNK2 (0.48) BMXABL1TNK2MAP4K2BCR
SCHEMBL3128918 0.81 TNK2 (0.64) BMXABL1TNK2MAP4K2BCR
SCHEMBL3828971 0.78 TNK2 (0.52) BMXABL1TNK2MAP4K2BCR
SCHEMBL3825966 0.77 TNK2 (0.53) BMXABL1TNK2MAP4K2BCR
SCHEMBL3827890 0.77 TNK2 (0.54) BMXABL1TNK2MAP4K2BCR
SCHEMBL13521782 0.77 TNK2 (0.71) BMXABL1TNK2MAP4K2BCR
SCHEMBL3830896 0.76 BMX (0.53) BMXABL1TNK2MAP4K2BCR
SCHEMBL3829290 0.76 TNK2 (0.63) BMXABL1TNK2MAP4K2BCR
SCHEMBL3830962 0.76 CSF1R (0.57) BMXABL1TNK2MAP4K2BCR

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