SCHEMBL3538111

SCHEMBL3538111

CNC(=O)c1cc(Oc2ccc(CCC(=O)Nc3ccc(C#N)c(Cl)c3)cc2)ccn1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 10/20 0.71
BRAF P15056 7/20 0.71
MAPK14 Q16539 5/20 0.51
KDR P35968 5/20 0.51
RET P07949 4/20 0.51
EPHX2 P34913 3/20 0.51
ABL1 P00519 3/20 0.51
EPHA2 P29317 3/20 0.51
MAP3K20 Q9NYL2 3/20 0.51
PLK4 O00444 2/20 0.51
AURKA O14965 2/20 0.51
MAPK13 O15264 2/20 0.51
MAP4K4 O95819 2/20 0.51
LCK P06239 2/20 0.51
FYN P06241 2/20 0.51
LYN P07948 2/20 0.51
SRC P12931 2/20 0.51
RPS6KB1 P23443 2/20 0.51
AXL P30530 2/20 0.51
FRK P42685 2/20 0.51

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
SCHEMBL3542798 0.87 RAF1 (0.77) RAF1BRAFMAPK14KDRRET
SCHEMBL3545160 0.85 RAF1 (0.74) RAF1BRAFMAPK14KDRRET
SCHEMBL3546122 0.83 RAF1 (1.00) RAF1BRAFMAPK14KDRRET
SCHEMBL3551325 0.81 BRAF (0.68) RAF1BRAFMAPK14KDRRET
SCHEMBL3549837 0.80 RAF1 (0.67) RAF1BRAFMAPK14KDRRET
SCHEMBL3546107 0.80 RAF1 (0.66) RAF1BRAFMAPK14KDRRET
SCHEMBL3543239 0.79 RAF1 (0.78) RAF1BRAFMAPK14KDRRET
SCHEMBL3546187 0.79 RAF1 (0.76) RAF1BRAFMAPK14KDRRET
SCHEMBL3547096 0.79 RAF1 (0.65) RAF1BRAFMAPK14KDRRET
SCHEMBL3549145 0.79 RAF1 (0.75) RAF1BRAFMAPK14KDRRET

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7652041-B2 4-[4-(3-oxo-3-{[3-(trifluoromethyl)phenyl]amino}propyl)phenoxy]pyridino-2-carboxamido: N-methyl-4-[4-(3-oxo-3-{[3-(trifluoromethyl)phenyl]amino}propyl)phenoxy]pyridine-2-carboxamide: Raf-kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-01-26 US claimed
US-7652041-B2 4-[4-(3-oxo-3-{[3-(trifluoromethyl)phenyl]amino}propyl)phenoxy]pyridino-2-carboxamido: N-methyl-4-[4-(3-oxo-3-{[3-(trifluoromethyl)phenyl]amino}propyl)phenoxy]pyridine-2-carboxamide: Raf-kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-01-26 US disclosed
US-7652041-B2 4-[4-(3-oxo-3-{[3-(trifluoromethyl)phenyl]amino}propyl)phenoxy]pyridino-2-carboxamido: N-methyl-4-[4-(3-oxo-3-{[3-(trifluoromethyl)phenyl]amino}propyl)phenoxy]pyridine-2-carboxamide: Raf-kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-01-26 US disclosed