SCHEMBL13885368

SCHEMBL13885368

CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(C)c(C(F)(F)F)c3)cc2)ccn1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 13/20 0.80
KDR P35968 7/20 0.80
RET P07949 4/20 0.80
AURKB Q96GD4 3/20 0.80
EPHX2 P34913 3/20 0.80
ABL1 P00519 3/20 0.80
SRC P12931 3/20 0.80
EPHA2 P29317 3/20 0.80
MAPK14 Q16539 3/20 0.80
MAP3K20 Q9NYL2 3/20 0.80
BRAF P15056 3/20 0.80
PLK4 O00444 2/20 0.80
AURKA O14965 2/20 0.80
MAPK13 O15264 2/20 0.80
MAP4K4 O95819 2/20 0.80
LCK P06239 2/20 0.80
FYN P06241 2/20 0.80
LYN P07948 2/20 0.80
RPS6KB1 P23443 2/20 0.80
AXL P30530 2/20 0.80

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
SCHEMBL17433342 0.91 KDR (0.82) RAF1KDRRETAURKBEPHX2
SCHEMBL5568327 0.90 RAF1 (0.80) RAF1KDRRETAURKBEPHX2
SCHEMBL19878475 0.90 RAF1 (0.80) RAF1KDRRETAURKBEPHX2
Sorafenib SCHEMBL8218 0.89 RAF1 (1.00) RAF1KDRRETAURKBEPHX2
SCHEMBL10203624 0.89 RAF1 (0.79) RAF1KDRRETAURKBEPHX2
Sorafenib SCHEMBL14739751 0.89 RAF1 (1.00) RAF1KDRRETAURKBEPHX2
Sorafenib SCHEMBL29349634 0.89 RAF1 (1.00) RAF1KDRRETAURKBEPHX2
SCHEMBL1532269 0.89 RAF1 (0.79) RAF1KDRRETAURKBEPHX2
SCHEMBL549001 0.89 RAF1 (1.00) RAF1KDRRETAURKBEPHX2
Sorafenib SCHEMBL1533976 0.88 RAF1 (0.98) RAF1KDRRETAURKBEPHX2

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
WO-2023196991-A1 BIFUNCTIONAL CHIMERIC MOLECULES FOR LABELING OF KINASES WITH TARGET BINDING MOIETIES AND METHODS OF USE THEREOF THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2023-10-12 WO disclosed
WO-2009055343-A2 FULLY HUMAN ANTI-VEGF ANTIBODIES AND METHODS OF USING SCHERING CORPORATION (US) 2009-04-30 WO disclosed