SCHEMBL4413413

SCHEMBL4413413

Cc1cccc(Nc2ncc3cc(-c4ccccc4Br)c(OC(N)=O)nc3n2)c1CS(N)(=O)=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WEE1 P30291 4/20 0.37
ABL1 P00519 2/20 0.34
FGFR1 P11362 5/20 0.33
SRC P12931 4/20 0.33
PTK2 Q05397 3/20 0.33
MAPK8 P45983 2/20 0.33
MAPK9 P45984 2/20 0.33
AURKA O14965 2/20 0.33
AURKB Q96GD4 2/20 0.33
ALK Q9UM73 2/20 0.33
JAK2 O60674 2/20 0.33
JAK3 P52333 2/20 0.33
CDC7 O00311 1/20 0.33
PLK4 O00444 1/20 0.33
CHEK1 O14757 1/20 0.33
DCLK1 O15075 1/20 0.33
PDPK1 O15530 1/20 0.33
DAPK3 O43293 1/20 0.33
ROCK2 O75116 1/20 0.33
MAP4K4 O95819 1/20 0.33

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
SCHEMBL4420763 0.88 WEE1 (0.38) WEE1ABL1FGFR1SRCPTK2
SCHEMBL4417439 0.75 AURKA (0.39) WEE1ABL1FGFR1SRCPTK2
SCHEMBL4414678 0.71 FGFR1 (0.53) WEE1ABL1FGFR1SRCPTK2
SCHEMBL4411774 0.71 MAPK10 (0.36) ABL1FGFR1SRCPTK2MAPK8
SCHEMBL4411476 0.70 CDK1 (0.33) WEE1ABL1FGFR1SRCPTK2
SCHEMBL4423212 0.66 CNR2 (0.39) ABL1FGFR1PTK2MAPK8MAPK9
SCHEMBL4413502 0.66 CDK1 (0.36) WEE1ABL1FGFR1SRCPTK2
SCHEMBL4420761 0.66 PKMYT1 (0.40) WEE1ABL1FGFR1SRCPTK2
SCHEMBL4413304 0.65 IKBKB (0.49) PTK2AURKAAURKBDCLK1CDK1
SCHEMBL4423148 0.65 RIPK2 (0.49) WEE1ABL1FGFR1SRCPTK2

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
EP-1615921-B1 PYRIDO 2,3-D PYRIMIDIN-7-CARBOXYLIC ACID DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS HOFFMANN LA ROCHE (CH) 2009-03-18 EP claimed