SCHEMBL6686233

SCHEMBL6686233

Cc1cccc(N(C(N)=O)c2ccc(-c3csc4ncnc(N)c34)cc2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 17/20 0.62
FLT3 P36888 9/20 0.62
KIT P10721 8/20 0.62
CLK4 Q9HAZ1 6/20 0.62
RET P07949 6/20 0.62
FGFR1 P11362 6/20 0.62
FLT1 P17948 6/20 0.62
CSF1R P07333 5/20 0.62
MAP4K4 O95819 5/20 0.62
MAP4K2 Q12851 5/20 0.62
ROCK1 Q13464 5/20 0.62
NTRK2 Q16620 5/20 0.62
AXL P30530 5/20 0.62
HIPK4 Q8NE63 5/20 0.62
ABL1 P00519 4/20 0.62
NTRK1 P04629 4/20 0.62
LCK P06239 4/20 0.62
CLK2 P49760 4/20 0.62
RPS6KA3 P51812 4/20 0.62
DYRK1A Q13627 4/20 0.62

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
SCHEMBL7070852 0.91 KDR (0.55) KDRFLT3KITCLK4RET
SCHEMBL7067102 0.89 KDR (0.52) KDRFLT3KITCLK4RET
SCHEMBL7069565 0.87 KDR (0.64) KDRFLT3KITCLK4RET
SCHEMBL7070857 0.87 KDR (0.66) KDRFLT3KITCLK4RET
SCHEMBL3604170 0.77 KDR (0.67) KDRFLT3KITRETFGFR1
SCHEMBL3617885 0.77 KDR (0.46) KDRFLT3KITCLK4RET
SCHEMBL7071304 0.77 KDR (0.54) KDRFLT3KITCLK4RET
SCHEMBL232042 0.77 KDR (1.00) KDRFLT3KITCLK4RET
SCHEMBL3122034 0.76 KDR (0.62) KDRFLT3KITCLK4RET
SCHEMBL7070865 0.76 KDR (0.52) KDRFLT3KITCLK4RET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1487841-A1 THIOPYRIMIDINE AND ISOTHIAZOLOPYRIMIDINE KINASE INHIBITORS Abbott Laboratories (US) 2004-12-22 EP disclosed
WO-2003080625-A1 THIOPYRIMIDINE AND ISOTHIAZOLOPYRIMIDINE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2003-10-02 WO disclosed