SCHEMBL5509723

SCHEMBL5509723

NCCC(=O)Nc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C(=O)O)CC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 18/20 0.71
KDR P35968 18/20 0.71
RET P07949 2/20 0.60
PDGFRB P09619 2/20 0.59
FGFR1 P11362 2/20 0.59
FLT1 P17948 2/20 0.59
FLT4 P35916 2/20 0.59
TEK Q02763 2/20 0.59
EPHA2 P29317 2/20 0.59
EPHB4 P54760 2/20 0.59
BMPR1B O00238 1/20 0.59
PLK4 O00444 1/20 0.59
CIT O14578 1/20 0.59
GAK O14976 1/20 0.59
EPHB6 O15197 1/20 0.59
RIPK2 O43353 1/20 0.59
ROCK2 O75116 1/20 0.59
STK10 O94804 1/20 0.59
MAP4K4 O95819 1/20 0.59
ABL1 P00519 1/20 0.59

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
SCHEMBL5505208 0.91 EGFR (0.66) EGFRKDRRETPDGFRBFGFR1
SCHEMBL5510867 0.89 EGFR (0.75) EGFRKDR
SCHEMBL5511525 0.88 KDR (0.67) EGFRKDRRETPDGFRBFGFR1
SCHEMBL4577855 0.88 EGFR (0.89) EGFRKDR
SCHEMBL4579310 0.88 KDR (0.68) EGFRKDRRETPDGFRBFGFR1
SCHEMBL3152430 0.85 KDR (0.80) EGFRKDRRETPDGFRBFGFR1
SCHEMBL4578566 0.83 KDR (0.64) EGFRKDRRETPDGFRBFGFR1
SCHEMBL4577754 0.83 EGFR (1.00) EGFRKDR
SCHEMBL5091125 0.82 EGFR (1.00) EGFRKDR
SCHEMBL4578874 0.81 EGFR (1.00) EGFRKDR

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
WO-2007055513-A1 QUINAZOLINE DERIVATIVES AS A SIGNAL TRANSDUCTION INHIBITOR AND METHOD FOR THE PREPARATION THEREOF HANMI PHARM. CO., LTD. (KR) 2007-05-18 WO disclosed