SCHEMBL4037284

SCHEMBL4037284

COCCN1CCN(CCCOc2cc(OC3CCOCC3)c3c(Nc4ccc(F)c(Cl)c4)ncnc3c2)CC1

nearest known ligand 0.89

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 11/20 0.89
SRC P12931 11/20 0.66
KDR P35968 10/20 0.66
LCK P06239 2/20 0.59
YES1 P07947 2/20 0.59
CSK P41240 2/20 0.59
FGFR1 P11362 1/20 0.59
AURKB Q96GD4 1/20 0.59
BMPR1B O00238 1/20 0.58
GAK O14976 1/20 0.58
EPHB6 O15197 1/20 0.58
RIPK2 O43353 1/20 0.58
STK10 O94804 1/20 0.58
MAP4K4 O95819 1/20 0.58
ABL1 P00519 1/20 0.58
FYN P06241 1/20 0.58
LYN P07948 1/20 0.58
RET P07949 1/20 0.58
HCK P08631 1/20 0.58
PDGFRB P09619 1/20 0.58

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
SCHEMBL4033500 0.97 EGFR (0.84) EGFRSRCKDRLCKYES1
SCHEMBL4042282 0.96 EGFR (0.82) EGFRSRCKDR
SCHEMBL4035967 0.94 EGFR (1.00) EGFRSRCKDRLCKYES1
SCHEMBL4036399 0.94 EGFR (0.91) EGFRSRCKDRLCKYES1
SCHEMBL4036758 0.93 EGFR (0.90) EGFRSRCKDRLCKYES1
SCHEMBL4035210 0.93 EGFR (0.77) EGFRSRCKDRLCKYES1
SCHEMBL4041440 0.93 EGFR (0.81) EGFRSRCKDR
SCHEMBL4034487 0.93 EGFR (0.89) EGFRSRCKDRLCKYES1
SCHEMBL4034410 0.92 EGFR (0.88) EGFRSRCKDRLCKYES1
SCHEMBL4036387 0.92 EGFR (0.93) 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