SCHEMBL3829311

SCHEMBL3829311

CNCCc1cccc(Nc2ncc3c(C)n(-c4cc(NC(=O)c5cccc(C(F)(F)F)c5)ccc4C)c(=O)nc3n2)c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 5/20 0.52
SRC P12931 5/20 0.52
TNK2 Q07912 4/20 0.51
MAP4K2 Q12851 4/20 0.51
ABL1 P00519 3/20 0.51
BTK Q06187 7/20 0.50
LCK P06239 6/20 0.50
BMX P51813 2/20 0.48
BCR P11274 1/20 0.48
RIPK1 Q13546 1/20 0.48
RIPK3 Q9Y572 1/20 0.48
SYK P43405 1/20 0.48
BLK P51451 2/20 0.48
DDR1 Q08345 1/20 0.47
MAPK14 Q16539 1/20 0.47
DDR2 Q16832 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
SCHEMBL3831964 0.95 TNK2 (0.52) JAK2SRCTNK2MAP4K2ABL1
SCHEMBL3832232 0.93 SRC (0.51) JAK2SRCTNK2MAP4K2ABL1
SCHEMBL3825427 0.93 JAK2 (0.53) JAK2SRCTNK2MAP4K2ABL1
SCHEMBL3825487 0.92 JAK2 (0.54) JAK2SRCTNK2MAP4K2ABL1
SCHEMBL3825165 0.91 BTK (0.55) JAK2SRCTNK2MAP4K2ABL1
SCHEMBL3825557 0.90 JAK2 (0.54) JAK2SRCTNK2MAP4K2ABL1
SCHEMBL3829290 0.89 TNK2 (0.63) JAK2SRCTNK2MAP4K2ABL1
SCHEMBL3831916 0.88 TNK2 (0.55) JAK2SRCTNK2MAP4K2ABL1
SCHEMBL3832093 0.88 SRC (0.54) JAK2SRCTNK2MAP4K2ABL1
SCHEMBL3827773 0.88 BTK (0.52) JAK2SRCTNK2MAP4K2ABL1

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