SCHEMBL28903919

SCHEMBL28903919

COc1cc(NC(=O)Nc2cc(Nc3cc(C(F)(F)F)ccc3OC)ncn2)cc(OC)c1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGFR P00533 5/20 0.55
FGFR1 P11362 2/20 0.55
ERBB3 P21860 2/20 0.51
RAF1 P04049 11/20 0.49
BRAF P15056 6/20 0.49
KDR P35968 2/20 0.46
CLK2 P49760 1/20 0.46
IRAK1 P51617 1/20 0.46
NEK4 P51957 1/20 0.46
MAP4K2 Q12851 1/20 0.46
HIPK4 Q8NE63 1/20 0.46
SRPK1 Q96SB4 1/20 0.46
CLK4 Q9HAZ1 1/20 0.46
MKNK2 Q9HBH9 1/20 0.46
MAP3K20 Q9NYL2 1/20 0.46
STK17A Q9UEE5 1/20 0.46
MAP4K5 Q9Y4K4 1/20 0.46

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
SCHEMBL28495163 0.84 EGFR (0.58) EGFRFGFR1ERBB3
SCHEMBL28905573 0.82 EGFR (0.75) EGFRFGFR1ERBB3RAF1BRAF
SCHEMBL28498357 0.80 EGFR (0.66) EGFRFGFR1ERBB3
SCHEMBL28490668 0.80 EGFR (0.60) EGFRFGFR1ERBB3RAF1BRAF
SCHEMBL31440788 0.74 KMT2A (0.61) RAF1BRAF
SCHEMBL374439 0.73 EGFR (0.72) EGFRFGFR1ERBB3
SCHEMBL4243486 0.73 RAF1 (0.61) RAF1BRAFKDR
SCHEMBL8368359 0.72 MAPT (0.56) RAF1BRAF
SCHEMBL1463480 0.71 MAPT (0.67) BRAFKDR
SCHEMBL5368898 0.71 KDM4E (0.71) FGFR1RAF1BRAFKDRCLK2

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
CN-109053594-B 1- (3, 5-dimethoxyphenyl) -3- (substituted pyrimidine-4-yl) urea compound and preparation and application thereof 温州医科大学 2020-12-18 CN claimed
CN-109053594-B 1- (3, 5-dimethoxyphenyl) -3- (substituted pyrimidine-4-yl) urea compound and preparation and application thereof 温州医科大学 2020-12-18 CN disclosed