SCHEMBL2507080

SCHEMBL2507080

C[NH+]([O-])C(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Br)c(C(F)(F)F)c3)cc2)ccn1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 12/20 0.75
KDR P35968 6/20 0.60
AURKB Q96GD4 3/20 0.59
PLK4 O00444 2/20 0.59
AURKA O14965 2/20 0.59
MAPK13 O15264 2/20 0.59
MAP4K4 O95819 2/20 0.59
ABL1 P00519 2/20 0.59
LCK P06239 2/20 0.59
FYN P06241 2/20 0.59
LYN P07948 2/20 0.59
RET P07949 2/20 0.59
SRC P12931 2/20 0.59
RPS6KB1 P23443 2/20 0.59
EPHA2 P29317 2/20 0.59
AXL P30530 2/20 0.59
FRK P42685 2/20 0.59
MAPK9 P45984 2/20 0.59
BLK P51451 2/20 0.59
CAMK2B Q13554 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
SCHEMBL549001 0.86 RAF1 (1.00) RAF1KDRAURKBPLK4AURKA
SCHEMBL548328 0.85 RAF1 (0.79) RAF1KDRAURKBPLK4AURKA
SCHEMBL940018 0.84 RAF1 (1.00) RAF1KDRAURKBPLK4AURKA
SCHEMBL2478377 0.82 RAF1 (0.86) RAF1KDRAURKBPLK4AURKA
SCHEMBL3181311 0.81 RAF1 (0.70) RAF1KDRAURKBPLK4AURKA
SCHEMBL1506420 0.79 RAF1 (0.86) RAF1KDRAURKBPLK4AURKA
SCHEMBL5082237 0.78 RAF1 (0.83) RAF1KDRAURKBPLK4AURKA
SCHEMBL6127281 0.77 RAF1 (0.68) RAF1KDRAURKBPLK4AURKA
SCHEMBL13946049 0.77 RAF1 (0.71) RAF1KDRAURKBPLK4AURKA
SCHEMBL1506452 0.77 RAF1 (0.82) RAF1KDRAURKBPLK4AURKA

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-1580188-B9 Aryl ureas as kinase inhibitors BAYER HEALTHCARE LLC (US) 2012-05-23 EP disclosed
EP-1580188-B1 Aryl ureas as kinase inhibitors BAYER HEALTHCARE LLC (US) 2011-10-19 EP disclosed