SCHEMBL6506916

SCHEMBL6506916

CCOC(=O)CC1CC(COc2cc3ncnc(Nc4ccc(Br)cc4F)c3cc2OC)OC(C)(C)O1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHA2 P29317 6/20 0.61
EPHB4 P54760 5/20 0.61
KDR P35968 15/20 0.59
EGFR P00533 12/20 0.59
FGFR1 P11362 9/20 0.59
FLT1 P17948 9/20 0.59
FLT4 P35916 9/20 0.59
RET P07949 3/20 0.59
PDGFRB P09619 2/20 0.59
TEK Q02763 2/20 0.59
KIF5B P33176 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

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
SCHEMBL6506913 1.00 EPHA2 (0.61) EPHA2EPHB4KDREGFRFGFR1
SCHEMBL6265759 0.86 KDR (0.61) EPHA2EPHB4KDREGFRFLT4
SCHEMBL6265754 0.86 KDR (0.61) EPHA2EPHB4KDREGFRFLT4
SCHEMBL5447733 0.80 EPHA2 (0.78) EPHA2EPHB4KDREGFRFGFR1
SCHEMBL19006858 0.78 KDR (0.87) EPHA2EPHB4KDREGFRFGFR1
SCHEMBL6511079 0.76 KDR (0.62) EPHA2EPHB4KDREGFRFGFR1
SCHEMBL3152430 0.76 KDR (0.80) EPHA2EPHB4KDREGFRFGFR1
SCHEMBL906940 0.76 EPHA2 (1.00) EPHA2EPHB4KDREGFRFGFR1
SCHEMBL5864525 0.76 KDR (1.00) EPHA2EPHB4KDREGFRFGFR1
SCHEMBL17520370 0.75 KDR (0.79) EPHA2EPHB4KDREGFRFGFR1

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-2005097134-A2 QUINAZOLINE BASED PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2005-10-20 WO disclosed