SCHEMBL6583527

SCHEMBL6583527

COc1cc2c(Nc3c(Cl)ccc4c3OCO4)ncnc2cc1OCc1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDR P35968 15/20 0.74
SRC P12931 9/20 0.74
EPHB4 P54760 5/20 0.69
CSK P41240 3/20 0.69
TEK Q02763 3/20 0.69
PKMYT1 Q99640 1/20 0.55
EGFR P00533 3/20 0.54
EPHA2 P29317 5/20 0.54
ERBB2 P04626 2/20 0.54
RET P07949 2/20 0.53
KIF5B P33176 2/20 0.53
FLT1 P17948 1/20 0.53
MEN1 O00255 1/20 0.52
PDE5A O76074 1/20 0.52
KMT2A Q03164 1/20 0.52

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 SCHEMBL5217413 0.99 KDR (0.73) KDRSRCEPHB4CSKTEK
SCHEMBL5214679 0.88 SRC (0.80) KDRSRCEPHB4CSKTEK
SCHEMBL5217352 0.86 SRC (0.78) KDRSRCEPHB4CSKTEK
SCHEMBL3205132 0.85 SRC (1.00) KDRSRCEPHB4CSKTEK
SCHEMBL5215250 0.85 KDR (0.75) KDRSRCEPHB4CSKTEK
SCHEMBL5215259 0.85 KDR (0.75) KDRSRCEPHB4CSKTEK
Hydrochloric Acid SCHEMBL5222294 0.85 KDR (0.67) KDRSRCEGFRRETKIF5B
SCHEMBL5220271 0.83 SRC (0.66) KDRSRCEPHB4CSKTEK
SCHEMBL5218186 0.83 SRC (0.92) KDRSRCEPHB4CSKTEK
SCHEMBL3196191 0.82 SRC (1.00) KDRSRCEPHB4CSKTEK

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
EP-1453492-A2 USE OF QUINAZOLINES TO TREAT T-CELL MEDIATED DISEASES Astrazeneca AB (SE) 2004-09-08 EP disclosed
WO-2003045364-A2 USE OF QUINAZOLINES TO TREAT T-CELL MEDIATED DISEASES ASTRAZENECA AB (SE) 2003-06-05 WO disclosed
EP-1313727-A1 QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2003-05-28 EP disclosed
WO-2002016352-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2002-02-28 WO disclosed