SCHEMBL3473466

SCHEMBL3473466

CCNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3OC)cc2)ccn1.CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3OC)c(Cl)c2)ccn1.COc1ccc(C(F)(F)F)cc1NC(=O)Nc1ccc(Oc2ccnc(N(C)C=O)c2)cc1C

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 15/20 0.67
GSK3B P49841 2/20 0.48
KDR P35968 4/20 0.48
ABL1 P00519 3/20 0.48
RET P07949 3/20 0.48
EPHA2 P29317 3/20 0.48
MAPK14 Q16539 3/20 0.48
MAP3K20 Q9NYL2 3/20 0.48
AURKB Q96GD4 3/20 0.48
PLK4 O00444 2/20 0.48
AURKA O14965 2/20 0.48
MAPK13 O15264 2/20 0.48
MAP4K4 O95819 2/20 0.48
LCK P06239 2/20 0.48
FYN P06241 2/20 0.48
LYN P07948 2/20 0.48
SRC P12931 2/20 0.48
RPS6KB1 P23443 2/20 0.48
AXL P30530 2/20 0.48
FRK P42685 2/20 0.48

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
SCHEMBL936550 0.83 RAF1 (0.60) RAF1KDRBRAFPDGFRA
SCHEMBL1846064 0.82 RAF1 (1.00) RAF1KDRABL1RETEPHA2
SCHEMBL1506319 0.81 RAF1 (0.81) RAF1GSK3BKDRABL1RET
SCHEMBL618105 0.80 RAF1 (1.00) RAF1GSK3BKDRABL1RET
SCHEMBL1506318 0.76 RAF1 (0.81) RAF1GSK3BKDRABL1RET
SCHEMBL1660255 0.75 RAF1 (0.79) RAF1GSK3BKDRABL1RET
SCHEMBL937287 0.75 RAF1 (1.00) RAF1GSK3BKDRABL1RET
SCHEMBL5566298 0.74 RAF1 (0.84) RAF1GSK3BKDRABL1RET
SCHEMBL5564956 0.74 RAF1 (0.84) RAF1GSK3BKDRABL1RET
SCHEMBL14453613 0.74 RAF1 (0.77) RAF1GSK3BKDRABL1RET

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
US-7838541-B2 Aryl ureas with angiogenesis inhibiting activity BAYER HEALTHCARE, LLC (US) 2010-11-23 US claimed