SCHEMBL3547173

SCHEMBL3547173

CNC(=O)c1cc(Oc2cccc(CCC(=O)Nc3ccc(OC)cc3)c2)ccn1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 5/20 0.70
BRAF P15056 3/20 0.70
KDR P35968 4/20 0.52
MAPK14 Q16539 3/20 0.52
RET P07949 2/20 0.52
CSF1R P07333 1/20 0.52
PLK4 O00444 1/20 0.52
AURKA O14965 1/20 0.52
MAPK13 O15264 1/20 0.52
JAK2 O60674 1/20 0.52
MAP4K4 O95819 1/20 0.52
ABL1 P00519 1/20 0.52
LCK P06239 1/20 0.52
FYN P06241 1/20 0.52
LYN P07948 1/20 0.52
ROS1 P08922 1/20 0.52
SRC P12931 1/20 0.52
RPS6KB1 P23443 1/20 0.52
EPHA2 P29317 1/20 0.52
TYK2 P29597 1/20 0.52

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
SCHEMBL3544270 0.92 RAF1 (0.70) RAF1BRAFKDRMAPK14RET
SCHEMBL3550115 0.91 BRAF (0.70) RAF1BRAFKDRMAPK14RET
SCHEMBL3551393 0.90 RAF1 (0.75) RAF1BRAFKDRMAPK14RET
SCHEMBL3541970 0.88 RAF1 (0.71) RAF1BRAFKDRMAPK14RET
SCHEMBL3544052 0.87 RAF1 (0.76) RAF1BRAFKDRMAPK14RET
SCHEMBL3652715 0.86 RAF1 (0.67) RAF1BRAFKDRMAPK14RET
SCHEMBL3540580 0.86 BRAF (0.74) RAF1BRAFKDRMAPK14RET
SCHEMBL3550110 0.85 RAF1 (0.79) RAF1BRAFKDRMAPK14RET
SCHEMBL3547494 0.85 BRAF (0.68) RAF1BRAFKDRMAPK14RET
SCHEMBL3540685 0.84 RAF1 (0.67) RAF1BRAFKDRMAPK14RET

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