SCHEMBL5745576

SCHEMBL5745576

NC(=O)N(c1ccc(-c2cccc3c2CNC3=O)c(Cl)c1)c1ccc(F)c(C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 17/20 0.44
ROCK2 O75116 3/20 0.44
RPS6KB1 P23443 3/20 0.44
ROCK1 Q13464 3/20 0.44
TAOK1 Q7L7X3 3/20 0.44
HIPK4 Q8NE63 3/20 0.44
AURKB Q96GD4 3/20 0.44
PLK4 O00444 2/20 0.44
NTRK1 P04629 2/20 0.44
MET P08581 2/20 0.44
ROS1 P08922 2/20 0.44
EPHA2 P29317 2/20 0.44
AXL P30530 2/20 0.44
FLT4 P35916 2/20 0.44
FLT3 P36888 2/20 0.44
FRK P42685 2/20 0.44
NTRK2 Q16620 2/20 0.44
SRPK1 Q96SB4 2/20 0.44
SRMS Q9H3Y6 2/20 0.44
ALK Q9UM73 2/20 0.44

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
SCHEMBL5750826 0.92 KDR (0.51) KDRROCK2RPS6KB1ROCK1TAOK1
SCHEMBL5880323 0.87 KDR (0.49) KDRROCK2RPS6KB1ROCK1TAOK1
SCHEMBL5746369 0.85 KDR (0.48) KDRROCK2RPS6KB1ROCK1TAOK1
SCHEMBL1335620 0.79 KDR (0.67) KDRROCK2RPS6KB1ROCK1TAOK1
SCHEMBL5795104 0.76 KDR (0.57) KDRROCK2RPS6KB1ROCK1TAOK1
SCHEMBL2733404 0.75 KDR (0.59) KDRROCK2RPS6KB1ROCK1TAOK1
SCHEMBL1335499 0.72 KDR (0.78) KDRROCK2RPS6KB1ROCK1TAOK1
SCHEMBL28217568 0.72 GRM4 (0.43) RPS6KB1
SCHEMBL5880221 0.71 KDR (0.49) KDRROCK2RPS6KB1ROCK1TAOK1
SCHEMBL1335538 0.71 KDR (0.72) KDRROCK2RPS6KB1ROCK1TAOK1

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