SCHEMBL3831469

SCHEMBL3831469

Cc1ccc(Nc2ncc3c(C)n(-c4cc(NC(=O)c5cccc(C(F)(F)F)c5)ccc4C)c(=O)nc3n2)c(C)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 9/20 0.54
MAP4K2 Q12851 9/20 0.54
ABL1 P00519 3/20 0.54
BMX P51813 3/20 0.54
BCR P11274 1/20 0.54
RIPK1 Q13546 1/20 0.54
RIPK3 Q9Y572 1/20 0.54
MAPK3 P27361 1/20 0.51
SRC P12931 6/20 0.48
JAK2 O60674 5/20 0.48
BTK Q06187 3/20 0.48
LCK P06239 3/20 0.48
FES P07332 1/20 0.48
RET P07949 1/20 0.48
PDGFRB P09619 1/20 0.48
KIT P10721 1/20 0.48
FGFR1 P11362 1/20 0.48
PDGFRA P16234 1/20 0.48
FLT1 P17948 1/20 0.48
FGFR3 P22607 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
SCHEMBL3831815 0.93 TNK2 (0.48) TNK2MAP4K2ABL1BMXBCR
SCHEMBL3828971 0.92 TNK2 (0.52) TNK2MAP4K2ABL1BMXBCR
SCHEMBL3825966 0.91 TNK2 (0.53) TNK2MAP4K2ABL1BMXBCR
SCHEMBL3827890 0.91 TNK2 (0.54) TNK2MAP4K2ABL1BMXBCR
SCHEMBL3827885 0.90 TNK2 (0.55) TNK2MAP4K2ABL1BMXBCR
SCHEMBL3825109 0.89 TNK2 (0.54) TNK2MAP4K2ABL1BMXBCR
SCHEMBL3829290 0.89 TNK2 (0.63) TNK2MAP4K2ABL1BMXBCR
SCHEMBL3825060 0.89 TNK2 (0.52) TNK2MAP4K2ABL1BMXBCR
SCHEMBL3825269 0.89 ABL1 (0.52) TNK2MAP4K2ABL1BMXBCR
SCHEMBL3827671 0.88 TNK2 (0.56) TNK2MAP4K2ABL1BMXBCR

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 3 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 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