SCHEMBL4033501

SCHEMBL4033501

CN(C)C1CCN(CCCOc2cc(OC3CCCC3)c3c(Nc4ccc(F)c(Cl)c4)ncnc3c2)C1

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EGFR P00533 15/20 0.69
SRC P12931 6/20 0.54
KDR P35968 6/20 0.54
LCK P06239 1/20 0.48
YES1 P07947 1/20 0.48
FGFR1 P11362 1/20 0.48
CSK P41240 1/20 0.48
AURKB Q96GD4 1/20 0.48

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
SCHEMBL4040509 0.94 EGFR (0.80) EGFRSRCKDRLCKYES1
SCHEMBL4033772 0.92 EGFR (0.71) EGFRSRCKDRLCKYES1
SCHEMBL4034753 0.91 EGFR (0.73) EGFRSRCKDRLCKYES1
SCHEMBL4036401 0.90 EGFR (0.74) EGFRSRCKDRLCKYES1
SCHEMBL4032117 0.89 EGFR (0.78) EGFRSRCKDRLCKYES1
SCHEMBL4036941 0.88 EGFR (0.77) EGFRSRCKDRLCKYES1
SCHEMBL4034424 0.86 EGFR (0.84) EGFRSRCKDRLCKYES1
SCHEMBL4041510 0.86 EGFR (0.84) EGFRSRCKDRLCKYES1
SCHEMBL4037343 0.86 EGFR (0.76) EGFRSRCKDRLCKYES1
SCHEMBL4216859 0.85 EGFR (0.65) EGFRSRCKDR

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-1444211-B1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2009-01-21 EP disclosed