SCHEMBL4728907

SCHEMBL4728907

O=C1NCc2ccc(C#CCCCO)cc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 7/20 0.45
NTRK2 Q16620 2/20 0.41
CLK4 Q9HAZ1 2/20 0.41
DYRK1B Q9Y463 2/20 0.41
TYRO3 Q06418 1/20 0.41
KDR P35968 2/20 0.40
JAK2 O60674 1/20 0.40
NTRK1 P04629 1/20 0.40
MET P08581 1/20 0.40
FGFR1 P11362 1/20 0.40
PRKACA P17612 1/20 0.40
MAP2K2 P36507 1/20 0.40
FLT3 P36888 1/20 0.40
GSK3B P49841 1/20 0.40
MAP2K1 Q02750 1/20 0.40
MST1R Q04912 1/20 0.40
NTRK3 Q16288 1/20 0.40
CAMK1D Q8IU85 1/20 0.40
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38

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
SCHEMBL4728829 0.92 GRM5 (0.47) GRM5NTRK2CLK4DYRK1BTYRO3
SCHEMBL30041388 0.89 GRM5 (0.58) GRM5CLK4NTRK1FLT3GSK3B
SCHEMBL30090707 0.77 GABRP (0.34) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL17080815 0.72 CA9 (0.46) CA9
SCHEMBL4728825 0.71 NTRK2 (0.45) NTRK2CLK4DYRK1BTYRO3KDR
SCHEMBL25215228 0.71 CLK4 (0.51) GRM5NTRK2CLK4DYRK1BTYRO3
SCHEMBL2041218 0.71 NTRK2 (0.51) GRM5NTRK2CLK4DYRK1BTYRO3
SCHEMBL29948230 0.71 NTRK2 (0.51) GRM5NTRK2CLK4DYRK1BTYRO3
SCHEMBL4730231 0.70 NTRK2 (0.44) NTRK2CLK4DYRK1BTYRO3KDR
SCHEMBL28115873 0.69 NTRK2 (0.49) GRM5NTRK2CLK4DYRK1BTYRO3

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
WO-2008020306-A2 ISOINDOLE DERIVATIVES PFIZER PRODUCTS INC. (US) 2008-02-21 WO disclosed