SCHEMBL19006871

SCHEMBL19006871

COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1CCCc1csc(C)n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 16/20 0.61
EGFR P00533 12/20 0.61
RET P07949 2/20 0.61
KIF5B P33176 2/20 0.61
FLT1 P17948 12/20 0.51
FGFR1 P11362 11/20 0.51
FLT4 P35916 10/20 0.51
EPHA2 P29317 4/20 0.50
PDGFRB P09619 3/20 0.50
EPHB4 P54760 3/20 0.50
FGFR2 P21802 2/20 0.50
FGFR4 P22455 2/20 0.50
FGFR3 P22607 2/20 0.50
TEK Q02763 2/20 0.50
EPHB2 P29323 2/20 0.50
BMPR1B O00238 1/20 0.50
PLK4 O00444 1/20 0.50
CIT O14578 1/20 0.50
GAK O14976 1/20 0.50
EPHB6 O15197 1/20 0.50

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
SCHEMBL17520373 0.87 KDR (0.68) KDREGFRRETKIF5BFLT1
SCHEMBL18978981 0.86 KDR (0.71) KDREGFRRETKIF5BFLT1
SCHEMBL19006953 0.80 KDR (0.67) KDREGFRRETKIF5BFLT1
SCHEMBL19220769 0.80 KDR (0.58) KDREGFRRETKIF5BFLT1
SCHEMBL19220784 0.78 KDR (0.65) KDREGFRRETKIF5BFLT1
SCHEMBL5864525 0.78 KDR (1.00) KDREGFRRETKIF5BFLT1
Hydrochloric Acid SCHEMBL7864775 0.77 KDR (0.98) KDREGFRRETKIF5BFLT1
Hydrochloric Acid SCHEMBL7455489 0.76 KDR (0.71) KDREGFRFLT1FGFR1FLT4
SCHEMBL15946890 0.75 KDR (0.84) KDREGFRRETKIF5BFLT1
SCHEMBL19006858 0.74 KDR (0.87) KDREGFRRETKIF5BFLT1

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-3181554-A1 QUINAZOLINE DERIVATIVE CSPC Zhongqi Pharmaceutical Technology (Shijiazhuang) Co., Ltd. (CN) 2017-06-21 EP disclosed