SCHEMBL29693554

SCHEMBL29693554

COc1cc2ncnc(Nc3ccc(N)cc3F)c2cc1OC

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 13/20 0.78
FLT1 P17948 6/20 0.78
FGFR1 P11362 4/20 0.78
EGFR P00533 8/20 0.76
RET P07949 7/20 0.76
KIF5B P33176 6/20 0.76
FLT4 P35916 3/20 0.74
EPHB2 P29323 1/20 0.74
SRC P12931 1/20 0.63
KIT P10721 1/20 0.61
AURKA O14965 1/20 0.61
ERBB2 P04626 1/20 0.61
INSR P06213 1/20 0.61
FBP1 P09467 1/20 0.61
PDGFRB P09619 1/20 0.61
CLK1 P49759 1/20 0.61
EPHB4 P54760 1/20 0.61
TEK Q02763 1/20 0.61
AURKB Q96GD4 1/20 0.61
RIPK2 O43353 1/20 0.61

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
SCHEMBL2206623 1.00 KDR (0.78) KDRFLT1FGFR1EGFRRET
SCHEMBL12510782 0.89 KDR (0.62) KDRFLT1FGFR1EGFRRET
SCHEMBL7866068 0.86 KDR (0.80) KDRFLT1FGFR1EGFRRET
SCHEMBL5864525 0.86 KDR (1.00) KDRFLT1FGFR1EGFRRET
SCHEMBL15580162 0.85 KDR (0.65) KDRFLT1FGFR1EGFRRET
SCHEMBL3012896 0.85 KDR (1.00) KDRFLT1FGFR1EGFRRET
Hydrochloric Acid SCHEMBL7870586 0.85 KDR (0.78) KDRFLT1FGFR1EGFRRET
SCHEMBL29365791 0.85 KDR (1.00) KDRFLT1FGFR1EGFRRET
Hydrochloric Acid SCHEMBL7864775 0.85 KDR (0.98) KDRFLT1FGFR1EGFRRET
SCHEMBL18158611 0.85 KDR (0.82) KDRFLT1FGFR1EGFRRET

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
EP-3329918-B1 C-MET MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2022-05-25 EP disclosed