SCHEMBL3824938

SCHEMBL3824938

Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-n1c(C2CC2)c2cnc(Nc3ccc(CCN4CCOCC4)cc3)nc2nc1=O

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LCK P06239 2/20 0.52
MAPK14 Q16539 2/20 0.52
TNK2 Q07912 7/20 0.51
MAP4K2 Q12851 7/20 0.51
ABL1 P00519 2/20 0.51
SRC P12931 10/20 0.49
JAK2 O60674 8/20 0.49
JAK1 P23458 1/20 0.49
BCR P11274 1/20 0.48
BMX P51813 1/20 0.48
RIPK1 Q13546 1/20 0.48
RIPK3 Q9Y572 1/20 0.48
SYK P43405 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
SCHEMBL3829420 0.92 LCK (0.55) LCKMAPK14TNK2MAP4K2ABL1
SCHEMBL3832093 0.87 SRC (0.54) LCKMAPK14TNK2MAP4K2ABL1
SCHEMBL3827678 0.87 TNK2 (0.56) LCKTNK2MAP4K2ABL1SRC
SCHEMBL3825123 0.85 TNK2 (0.63) TNK2MAP4K2ABL1SRCJAK2
SCHEMBL3825114 0.84 TNK2 (0.55) LCKTNK2MAP4K2ABL1SRC
SCHEMBL3824942 0.84 LCK (0.57) LCKMAPK14TNK2MAP4K2SRC
SCHEMBL3825113 0.83 TNK2 (0.66) LCKMAPK14TNK2MAP4K2ABL1
SCHEMBL3829417 0.83 TNK2 (0.53) LCKTNK2MAP4K2ABL1SRC
SCHEMBL3827890 0.82 TNK2 (0.54) LCKTNK2MAP4K2ABL1SRC
SCHEMBL3830961 0.82 TNK2 (0.53) LCKTNK2MAP4K2ABL1SRC

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