SCHEMBL7594479

SCHEMBL7594479

COc1ccc(Cl)c(Nc2ncnc3cc(OCC(O)CN4CCCC4)c(OC)cc23)c1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDR P35968 9/20 0.67
SRC P12931 7/20 0.67
EGFR P00533 7/20 0.61
AURKA O14965 1/20 0.58
RET P07949 1/20 0.55
KIF5B P33176 1/20 0.55
EPHB4 P54760 3/20 0.55
EPHA2 P29317 2/20 0.55
FGFR1 P11362 2/20 0.53
FLT1 P17948 2/20 0.53
CSK P41240 1/20 0.52
TEK Q02763 1/20 0.52
FGFR2 P21802 1/20 0.52
FLT4 P35916 1/20 0.51

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
Hydrochloric Acid SCHEMBL7589440 0.89 AURKA (0.57) KDRSRCEGFRAURKAEPHB4
Hydrochloric Acid SCHEMBL7581670 0.87 EGFR (0.63) KDRSRCEGFRAURKARET
Hydrochloric Acid SCHEMBL7588705 0.85 KDR (0.59) KDRSRCEGFRAURKARET
SCHEMBL3193735 0.84 KDR (0.77) KDRSRCEGFREPHB4EPHA2
SCHEMBL5755914 0.84 FLT1 (0.75) KDREGFRFGFR1FLT1FLT4
SCHEMBL14564686 0.84 FLT1 (0.75) KDREGFRFGFR1FLT1FLT4
SCHEMBL5450340 0.84 FLT1 (0.73) KDREGFRFGFR1FLT1FLT4
SCHEMBL5465089 0.84 FLT1 (0.73) KDREGFRFGFR1FLT1FLT4
SCHEMBL14564691 0.84 KDR (0.66) KDREGFRAURKARETKIF5B
Hydrochloric Acid SCHEMBL5456504 0.83 FLT1 (0.73) KDREGFRFGFR1FLT1FLT4

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-2002092577-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2002-11-21 WO disclosed