SCHEMBL4034424

SCHEMBL4034424

CN1CCCN(CCCOc2cc(OC3CCCC3)c3c(Nc4ccc(F)c(Cl)c4)ncnc3c2)CC1

nearest known ligand 0.84

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EGFR P00533 14/20 0.84
SRC P12931 7/20 0.60
KDR P35968 6/20 0.60
LCK P06239 1/20 0.53
YES1 P07947 1/20 0.53
FGFR1 P11362 1/20 0.53
CSK P41240 1/20 0.53
AURKB Q96GD4 1/20 0.53

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
SCHEMBL4031574 0.97 EGFR (0.84) EGFRSRCKDRLCKYES1
SCHEMBL4034525 0.96 EGFR (0.78) EGFRSRCKDRLCKYES1
SCHEMBL4034228 0.94 EGFR (0.94) EGFRSRCKDRLCKYES1
SCHEMBL4040011 0.94 EGFR (0.81) EGFRSRCKDRLCKYES1
SCHEMBL4037323 0.94 EGFR (0.89) EGFRSRCKDR
SCHEMBL4032117 0.94 EGFR (0.78) EGFRSRCKDRLCKYES1
SCHEMBL4037338 0.93 EGFR (0.78) EGFRSRCKDRLCKYES1
SCHEMBL4037082 0.93 EGFR (0.82) EGFRSRCKDRLCKYES1
SCHEMBL4036941 0.93 EGFR (0.77) EGFRSRCKDRLCKYES1
SCHEMBL4031704 0.93 EGFR (0.81) EGFRSRCKDRLCKYES1

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