SCHEMBL19006953

SCHEMBL19006953

COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1CCCCCN(C)C

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 17/20 0.67
EGFR P00533 14/20 0.67
RET P07949 2/20 0.67
KIF5B P33176 2/20 0.67
FLT1 P17948 12/20 0.55
FGFR1 P11362 11/20 0.55
FLT4 P35916 10/20 0.55
PDGFRB P09619 3/20 0.53
FGFR2 P21802 2/20 0.53
FGFR4 P22455 2/20 0.53
FGFR3 P22607 2/20 0.53
TEK Q02763 2/20 0.53
EPHB2 P29323 2/20 0.53
EPHA2 P29317 2/20 0.53
BMPR1B O00238 1/20 0.53
PLK4 O00444 1/20 0.53
CIT O14578 1/20 0.53
GAK O14976 1/20 0.53
EPHB6 O15197 1/20 0.53
RIPK2 O43353 1/20 0.53

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
SCHEMBL17520325 0.87 KDR (0.77) KDREGFRRETKIF5BFLT1
SCHEMBL17520351 0.86 KDR (0.78) KDREGFRRETKIF5BFLT1
SCHEMBL19006973 0.81 EGFR (0.76) KDREGFRFLT4PDGFRBTEK
SCHEMBL5864525 0.81 KDR (1.00) KDREGFRRETKIF5BFLT1
SCHEMBL19006871 0.80 KDR (0.61) KDREGFRRETKIF5BFLT1
Hydrochloric Acid SCHEMBL7864775 0.80 KDR (0.98) KDREGFRRETKIF5BFLT1
SCHEMBL5448866 0.78 KDR (0.73) KDREGFRRETKIF5BFLT1
SCHEMBL19220775 0.78 RET (0.64) KDREGFRRETKIF5BFLT1
SCHEMBL19006858 0.78 KDR (0.87) KDREGFRRETKIF5BFLT1
Hydrochloric Acid SCHEMBL5453290 0.78 KDR (0.71) 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