SCHEMBL4037588

SCHEMBL4037588

COCCN(C)CCCOc1cc(OC2CCOC2)c2c(Nc3ccc(F)c(Cl)c3)ncnc2c1

nearest known ligand 0.76

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EGFR P00533 19/20 0.76
SRC P12931 1/20 0.54
KDR P35968 1/20 0.54
ABL1 P00519 1/20 0.52
ERBB2 P04626 1/20 0.52
RET P07949 1/20 0.52
ERBB4 Q15303 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
SCHEMBL4034040 0.96 EGFR (0.83) EGFRSRCKDR
SCHEMBL4040190 0.94 EGFR (0.73) EGFRABL1ERBB2RETERBB4
SCHEMBL4036771 0.94 EGFR (0.73) EGFRSRCKDRABL1ERBB2
SCHEMBL4034607 0.93 EGFR (0.85) EGFRSRCKDRABL1RET
SCHEMBL4037351 0.91 EGFR (0.74) EGFRABL1ERBB2RETERBB4
SCHEMBL4033136 0.91 EGFR (0.91) EGFRSRCKDR
SCHEMBL4040826 0.91 EGFR (0.72) EGFRSRCKDR
SCHEMBL4033830 0.90 EGFR (0.70) EGFRSRCABL1ERBB2RET
SCHEMBL4039652 0.90 EGFR (0.70) EGFRSRCKDRABL1ERBB2
SCHEMBL4034377 0.89 EGFR (0.77) 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