SCHEMBL5794432

SCHEMBL5794432

Cc1cccc(N(C(N)=O)c2ccc(-c3cccc4c3CNC4=O)cc2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 20/20 0.63
ROCK2 O75116 3/20 0.57
RET P07949 3/20 0.57
AURKB Q96GD4 3/20 0.57
FLT1 P17948 2/20 0.57
EPHA2 P29317 2/20 0.57
FLT4 P35916 2/20 0.57
FLT3 P36888 2/20 0.57
MAP4K4 O95819 2/20 0.57
LCK P06239 2/20 0.57
PIM1 P11309 2/20 0.57
RPS6KB1 P23443 2/20 0.57
BLK P51451 2/20 0.57
STK3 Q13188 2/20 0.57
ROCK1 Q13464 2/20 0.57
NTRK3 Q16288 2/20 0.57
TAOK1 Q7L7X3 2/20 0.57
HIPK4 Q8NE63 2/20 0.57
MKNK2 Q9HBH9 2/20 0.57
MAP4K5 Q9Y4K4 2/20 0.57

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
SCHEMBL3594664 0.88 KDR (0.68) KDRROCK2RETAURKBFLT1
SCHEMBL2732814 0.87 KDR (0.56) KDRROCK2RETAURKBFLT1
SCHEMBL5749449 0.87 KDR (0.51) KDRROCK2RETAURKBFLT1
SCHEMBL5795104 0.87 KDR (0.57) KDRROCK2RETAURKBFLT1
SCHEMBL5745694 0.87 KDR (0.48) KDRROCK2RETAURKBFLT1
SCHEMBL5798358 0.86 KDR (0.59) KDRROCK2RETAURKBFLT1
SCHEMBL2733404 0.86 KDR (0.59) KDRROCK2RETAURKBFLT1
SCHEMBL5880331 0.86 KDR (0.55) KDRROCK2RETAURKBFLT1
SCHEMBL2733951 0.86 KDR (0.55) KDRROCK2RETAURKBFLT1
SCHEMBL2732944 0.85 KDR (0.58) KDRROCK2RETAURKBFLT1

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-1633710-A1 ISOINDOLIN-1-ONE COMPOUNDS AS KINASE INHIBITORS Abbott Laboratories (US) 2006-03-15 EP claimed
WO-2004108672-A1 ISOINDOLIN-1-ONE COMPOUNDS AS KINASE INHIBITORS ABBOTT LABORATORIES (US) 2004-12-16 WO claimed