SCHEMBL5777022

SCHEMBL5777022

O=C1Nc2ccc(-c3csc(Nc4ccccc4)n3)cc2/C1=C/c1cc(Cl)c(O)c(Cl)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 5/20 0.63
LRRK2 Q5S007 4/20 0.48
CSNK2A1 P68400 2/20 0.47
DYRK3 O43781 1/20 0.47
ROCK2 O75116 1/20 0.47
PRKD3 O94806 1/20 0.47
MAP4K4 O95819 1/20 0.47
ROS1 P08922 1/20 0.47
PIM1 P11309 1/20 0.47
RPS6KB1 P23443 1/20 0.47
CDK2 P24941 1/20 0.47
FLT4 P35916 1/20 0.47
KDR P35968 1/20 0.47
CLK2 P49760 1/20 0.47
GSK3A P49840 1/20 0.47
GSK3B P49841 1/20 0.47
LIMK1 P53667 1/20 0.47
ROCK1 Q13464 1/20 0.47
CAMK2B Q13554 1/20 0.47
DYRK1A Q13627 1/20 0.47

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
SCHEMBL5777026 1.00 RAF1 (0.63) RAF1LRRK2CSNK2A1DYRK3ROCK2
SCHEMBL5774942 0.90 LRRK2 (0.63) RAF1LRRK2CSNK2A1DYRK3ROCK2
SCHEMBL5774946 0.90 LRRK2 (0.63) RAF1LRRK2CSNK2A1DYRK3ROCK2
SCHEMBL5776688 0.85 RAF1 (0.71) RAF1LRRK2ULK1KIF15PLK4
SCHEMBL5776685 0.85 RAF1 (0.71) RAF1LRRK2ULK1KIF15PLK4
SCHEMBL5776196 0.83 RAF1 (0.64) RAF1LRRK2CSNK2A1PIM1PIM3
SCHEMBL5776199 0.83 RAF1 (0.64) RAF1LRRK2CSNK2A1PIM1PIM3
SCHEMBL5774040 0.82 RAF1 (0.62) RAF1LRRK2ULK1KIF15PLK4
SCHEMBL5774037 0.82 RAF1 (0.62) RAF1LRRK2ULK1KIF15PLK4
SCHEMBL5772999 0.79 RAF1 (1.00) RAF1LRRK2ULK1KIF15PLK4

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-1003721-B1 BENZYLIDENE-1,3-DIHYDRO-INDOL-2-ONE DERIVATIVES AS RECEPTOR TYROSINE KINASE INHIBITORS, PARTICULARLY OF RAF KINASES GLAXO GROUP LTD (GB) 2006-11-02 EP disclosed
US-6268391-B1 Benzylidene-1,3-dihydro-indol-2-one derivatives a receptor tyrosine kinase inhibitors, particularly of Raf kinases GLAXO WELLCOME INC. 2001-07-31 US disclosed