SCHEMBL14607293

SCHEMBL14607293

NCc1ccc(Nc2ncc(F)c(Nc3ccc(CN)cc3)n2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 12/20 0.72
AURKA O14965 8/20 0.69
JAK2 O60674 2/20 0.65
AURKB Q96GD4 2/20 0.65
STK17A Q9UEE5 2/20 0.65
KDR P35968 2/20 0.65
GSK3A P49840 2/20 0.65
GSK3B P49841 2/20 0.65
PLK4 O00444 1/20 0.65
PDPK1 O15530 1/20 0.65
PRKD3 O94806 1/20 0.65
MAP4K4 O95819 1/20 0.65
NTRK1 P04629 1/20 0.65
INSR P06213 1/20 0.65
LCK P06239 1/20 0.65
FYN P06241 1/20 0.65
CDK1 P06493 1/20 0.65
FES P07332 1/20 0.65
CSF1R P07333 1/20 0.65
LYN P07948 1/20 0.65

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
SCHEMBL30072334 0.94 SYK (0.76) SYKAURKAJAK2AURKBSTK17A
SCHEMBL4276330 0.94 SYK (0.76) SYKAURKAJAK2AURKBSTK17A
SCHEMBL14607313 0.87 SYK (0.67) SYKAURKACDK2
SCHEMBL14607305 0.86 SYK (0.76) SYKAURKAJAK2AURKBSTK17A
SCHEMBL654705 0.85 SYK (0.70) SYKAURKAJAK2AURKBSTK17A
SCHEMBL657089 0.84 SYK (1.00) SYKAURKAJAK2AURKBSTK17A
SCHEMBL4937858 0.83 SYK (0.97) SYKAURKAJAK2AURKBSTK17A
Hydrochloric Acid SCHEMBL655563 0.83 SYK (0.97) SYKAURKAJAK2AURKBSTK17A
SCHEMBL656765 0.82 AURKA (1.00) SYKAURKAJAK2AURKBSTK17A
Hydrochloric Acid SCHEMBL655562 0.81 SYK (0.94) SYKAURKAJAK2AURKBSTK17A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007027238-A2 JAK KINASE INHIBITORS AND THEIR USES RIGEL PHARMACEUTICALS, INC. (US) 2007-03-08 WO disclosed