SCHEMBL3396622

SCHEMBL3396622

O=C(Nc1ccc(-c2cccc3[nH]nc([AsH2])c23)cc1)Nc1cccc(Cl)c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 20/20 0.77
KIT P10721 15/20 0.77
FLT3 P36888 14/20 0.77
VHL P40337 1/20 0.66
LCK P06239 5/20 0.60
CSF1R P07333 5/20 0.60
FLT1 P17948 5/20 0.60
FLT4 P35916 5/20 0.60
LYN P07948 4/20 0.60
SRC P12931 4/20 0.60
BLK P51451 4/20 0.60
FYN P06241 3/20 0.60
NTRK1 P04629 2/20 0.60
ABL1 P00519 2/20 0.60
PLK4 O00444 2/20 0.59
AURKA O14965 2/20 0.59
ROCK2 O75116 2/20 0.59
INSR P06213 2/20 0.59
MET P08581 2/20 0.59
FGFR1 P11362 2/20 0.59

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
SCHEMBL421753 0.87 KDR (1.00) KDRKITFLT3VHLLCK
SCHEMBL6073436 0.80 KDR (0.79) KDRKITFLT3LCKCSF1R
SCHEMBL420530 0.76 KDR (0.73) KDRKITFLT3VHLLCK
SCHEMBL1703314 0.76 KDR (1.00) KDRKITFLT3VHLLCK
SCHEMBL1703478 0.76 KDR (1.00) KDRKITFLT3VHLLCK
SCHEMBL420902 0.76 KDR (0.80) KDRKITFLT3VHLLCK
SCHEMBL423364 0.76 KDR (0.76) KDRKITFLT3VHLLCK
SCHEMBL1660311 0.75 KDR (0.78) KDRKITFLT3VHLLCK
SCHEMBL420430 0.75 KDR (0.81) KDRKITFLT3VHLLCK
SCHEMBL13523211 0.75 KDR (0.80) KDRKITFLT3VHLLCK

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-1638941-B1 INDAZOLE, BENZISOXAZOLE, AND BENZISOTHIAZOLE KINASE INHIBITORS ABBOTT LAB (US) 2010-06-02 EP claimed