SCHEMBL4036906

SCHEMBL4036906

[CH2]N1CCC(Oc2cc(OC)cc3ncnc(Nc4ccc(F)c(Cl)c4)c23)CC1

nearest known ligand 0.85

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EGFR P00533 17/20 0.85
SRC P12931 2/20 0.60
ERBB2 P04626 2/20 0.58
KDR P35968 1/20 0.54

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
SCHEMBL4034609 0.92 EGFR (1.00) EGFRSRCERBB2KDR
SCHEMBL4034115 0.90 EGFR (0.83) EGFRSRCERBB2KDR
SCHEMBL4205295 0.89 EGFR (0.78) EGFRSRCERBB2KDR
SCHEMBL4039655 0.88 EGFR (1.00) EGFRSRCERBB2
SCHEMBL5660493 0.88 EGFR (0.83) EGFRSRCERBB2KDR
SCHEMBL4034383 0.88 EGFR (1.00) EGFRSRCERBB2KDR
SCHEMBL4038435 0.88 EGFR (1.00) EGFRSRCKDR
SCHEMBL4033913 0.88 EGFR (1.00) EGFRSRCERBB2KDR
SCHEMBL4032510 0.88 EGFR (0.82) EGFRSRCERBB2
SCHEMBL4040351 0.87 EGFR (0.78) EGFRSRCERBB2KDR

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