SCHEMBL3863142

SCHEMBL3863142

COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCN1CCC(C)CC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 15/20 0.70
EGFR P00533 13/20 0.70
RET P07949 3/20 0.70
KIF5B P33176 2/20 0.70
FGFR1 P11362 11/20 0.70
FLT1 P17948 11/20 0.70
FLT4 P35916 10/20 0.70
EPHA2 P29317 4/20 0.70
PDGFRB P09619 3/20 0.70
EPHB4 P54760 3/20 0.70
TEK Q02763 2/20 0.70
FGFR2 P21802 2/20 0.70
FGFR4 P22455 2/20 0.70
FGFR3 P22607 2/20 0.70
BMPR1B O00238 1/20 0.70
PLK4 O00444 1/20 0.70
CIT O14578 1/20 0.70
GAK O14976 1/20 0.70
EPHB6 O15197 1/20 0.70
RIPK2 O43353 1/20 0.70

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
SCHEMBL5458741 0.90 KDR (0.75) KDREGFRRETKIF5BFGFR1
Hydrochloric Acid SCHEMBL157862 0.89 KDR (0.77) KDREGFRRETKIF5BFGFR1
SCHEMBL16085055 0.84 EGFR (0.84) KDREGFRRETKIF5BFGFR1
SCHEMBL1657315 0.84 EGFR (0.83) KDREGFRRETKIF5BFGFR1
SCHEMBL5864525 0.84 KDR (1.00) KDREGFRRETKIF5BFGFR1
Hydrochloric Acid SCHEMBL7864775 0.83 KDR (0.98) KDREGFRRETKIF5BFGFR1
Vandetanib SCHEMBL9044 0.82 EGFR (1.00) KDREGFRRETKIF5BFGFR1
Vandetanib SCHEMBL29352879 0.82 EGFR (1.00) KDREGFRRETKIF5BFGFR1
Vandetanib SCHEMBL28224661 0.82 EGFR (1.00) KDREGFRRETKIF5BFGFR1
SCHEMBL20343335 0.82 EGFR (0.80) KDREGFRRETKIF5BFGFR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7541027-B2 Use of an epitope of vascular endothelial growth factor receptor KDR/Flk-1 ASTRAZENECA AB (SE) 2009-06-02 US disclosed
US-20050221317-A1 Use of an epitope of vascular endothelial growth factor receptor kdr/flk-1 ASTRAZENECA AB (SE) 2005-10-06 US disclosed
EP-1487876-A1 THE USE OF AN EPITOPE OF VASCULAR ENDOTHELIAL GROWTH FACTOR RECEPTOR KDR/FLK-1 Astrazeneca AB (SE) 2004-12-22 EP disclosed
WO-2003078465-A1 THE USE OF AN EPITOPE OF VASCULAR ENDOTHELIAL GROWTH FACTOR RECEPTOR KDR/FLK-1 ASTRAZENECA AB (SE) 2003-09-25 WO disclosed