SCHEMBL3829290

SCHEMBL3829290

Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-n1c(C)c2cnc(Nc3ccccc3)nc2nc1=O

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 4/20 0.63
MAP4K2 Q12851 4/20 0.63
ABL1 P00519 2/20 0.63
LCK P06239 6/20 0.60
BTK Q06187 6/20 0.60
SYK P43405 1/20 0.60
BCR P11274 1/20 0.54
BMX P51813 1/20 0.54
RIPK1 Q13546 1/20 0.54
RIPK3 Q9Y572 1/20 0.54
JAK2 O60674 7/20 0.53
SRC P12931 7/20 0.53
JAK1 P23458 1/20 0.53
BLK P51451 1/20 0.51
EPHB4 P54760 1/20 0.51
MAPK3 P27361 1/20 0.51

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
SCHEMBL3827671 0.95 TNK2 (0.56) TNK2MAP4K2ABL1LCKBTK
SCHEMBL3827877 0.94 TNK2 (0.56) TNK2MAP4K2ABL1LCKBTK
SCHEMBL3831916 0.93 TNK2 (0.55) TNK2MAP4K2ABL1LCKBTK
SCHEMBL3830962 0.93 CSF1R (0.57) TNK2MAP4K2ABL1LCKBTK
SCHEMBL3827719 0.93 TNK2 (0.55) TNK2MAP4K2ABL1LCKBTK
SCHEMBL3827885 0.93 TNK2 (0.55) TNK2MAP4K2ABL1LCKBTK
SCHEMBL3827680 0.93 BTK (0.62) TNK2MAP4K2ABL1LCKBTK
SCHEMBL3825562 0.93 TNK2 (0.55) TNK2MAP4K2ABL1LCKBTK
SCHEMBL3831814 0.92 TNK2 (0.56) TNK2MAP4K2ABL1LCKBTK
SCHEMBL3824774 0.92 SRC (0.63) TNK2MAP4K2ABL1LCKBTK

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