SCHEMBL6164898

SCHEMBL6164898

C=CC(=O)Oc1ccccc1Nc1ncnc2cc(OCCCN3CCOCC3)c(OC)cc12

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 12/20 0.79
EGFR P00533 5/20 0.73
KDR P35968 7/20 0.65
AURKA O14965 3/20 0.65
AURKB Q96GD4 2/20 0.65
ROCK2 O75116 1/20 0.65
ALDH1A1 P00352 1/20 0.65
LCK P06239 1/20 0.65
FYN P06241 1/20 0.65
RET P07949 1/20 0.65
MET P08581 1/20 0.65
MAPT P10636 1/20 0.65
PDGFRA P16234 1/20 0.65
LTK P29376 1/20 0.65
TTK P33981 1/20 0.65
MAP2K2 P36507 1/20 0.65
MAP2K1 Q02750 1/20 0.65
BTK Q06187 1/20 0.65
TYRO3 Q06418 1/20 0.65
TNK2 Q07912 1/20 0.65

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
SCHEMBL28530565 0.86 EGFR (0.63) SRCEGFRKDRAURKAAURKB
SCHEMBL6906281 0.83 EGFR (0.86) SRCEGFRKDRLCKRET
SCHEMBL8525415 0.83 EGFR (0.64) SRCEGFRKDRAURKAAURKB
SCHEMBL13529060 0.81 SRC (0.84) SRCEGFRKDRAURKAAURKB
SCHEMBL8525841 0.81 EGFR (0.61) SRCEGFRKDRAURKAAURKB
SCHEMBL23315781 0.80 SRC (0.66) SRCEGFRKDRAURKAAURKB
SCHEMBL16760391 0.80 EGFR (0.78) SRCEGFRKDRRET
SCHEMBL16341938 0.80 SRC (0.68) SRCEGFRKDRAURKAAURKB
SCHEMBL6119102 0.80 SRC (0.68) SRCEGFRKDRAURKAAURKB
SCHEMBL4466493 0.80 EGFR (1.00) SRCEGFRKDRLCKRET

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-1218357-B1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2005-04-06 EP claimed