SCHEMBL5490957

SCHEMBL5490957

[CH2][C@H](C)Oc1cccc2ncnc(Nc3ccc(OCc4cscn4)c(C)c3)c12

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EGFR P00533 6/20 0.55
ERBB2 P04626 18/20 0.52
KCNH2 Q12809 8/20 0.48
FLT1 P17948 1/20 0.45
EPHA2 P29317 1/20 0.45
KDR P35968 1/20 0.45
EPHB4 P54760 1/20 0.45

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
SCHEMBL5699203 0.92 EGFR (0.54) EGFRERBB2KCNH2FLT1EPHA2
SCHEMBL28756455 0.88 ERBB2 (0.62) EGFRERBB2KCNH2
SCHEMBL3816930 0.88 ERBB2 (0.62) EGFRERBB2KCNH2
SCHEMBL5699179 0.86 ERBB2 (0.64) EGFRERBB2KCNH2
SCHEMBL4483658 0.85 ERBB2 (0.53) EGFRERBB2KCNH2
SCHEMBL4473685 0.84 ERBB2 (0.52) EGFRERBB2KCNH2
SCHEMBL3807571 0.83 EGFR (0.54) EGFRERBB2KCNH2FLT1EPHA2
SCHEMBL4480637 0.83 ERBB2 (0.67) EGFRERBB2KCNH2
SCHEMBL3810196 0.83 EGFR (0.54) EGFRERBB2KCNH2FLT1EPHA2
SCHEMBL5493875 0.82 ERBB2 (0.53) EGFRERBB2KCNH2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007511491-A 2007-05-10 JP claimed
EP-1685116-A1 QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2006-08-02 EP claimed
WO-2005051923-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2005-06-09 WO claimed