SCHEMBL3832093

SCHEMBL3832093

Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-n1c(C)c2cnc(Nc3cccc(CCN4CCOCC4)c3)nc2nc1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 9/20 0.54
JAK2 O60674 7/20 0.54
LCK P06239 4/20 0.54
MAPK14 Q16539 3/20 0.54
TNK2 Q07912 5/20 0.51
MAP4K2 Q12851 5/20 0.51
ABL1 P00519 2/20 0.51
JAK1 P23458 1/20 0.49
KDR P35968 2/20 0.48
TYK2 P29597 1/20 0.48
SYK P43405 1/20 0.48
MAPK8 P45983 1/20 0.48
MAPK9 P45984 1/20 0.48
JAK3 P52333 1/20 0.48
MAPK10 P53779 1/20 0.48
BTK Q06187 1/20 0.48
BCR P11274 1/20 0.48
BMX P51813 1/20 0.48
RIPK1 Q13546 1/20 0.48
RIPK3 Q9Y572 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
SCHEMBL3829420 0.95 LCK (0.55) SRCJAK2LCKMAPK14TNK2
SCHEMBL3831040 0.89 JAK2 (0.53) SRCJAK2LCKMAPK14TNK2
SCHEMBL3825427 0.89 JAK2 (0.53) SRCJAK2LCKMAPK14TNK2
SCHEMBL3829311 0.88 JAK2 (0.52) SRCJAK2LCKMAPK14TNK2
SCHEMBL3825487 0.88 JAK2 (0.54) SRCJAK2LCKTNK2MAP4K2
SCHEMBL3824938 0.87 LCK (0.52) SRCJAK2LCKMAPK14TNK2
SCHEMBL3825165 0.87 BTK (0.55) SRCJAK2LCKTNK2MAP4K2
SCHEMBL3873074 0.86 TNK2 (0.50) SRCJAK2LCKMAPK14TNK2
SCHEMBL3832232 0.86 SRC (0.51) SRCJAK2LCKTNK2MAP4K2
SCHEMBL3825557 0.86 JAK2 (0.54) SRCJAK2LCKTNK2MAP4K2

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