SCHEMBL6210593

SCHEMBL6210593

CCOc1cc2ncc(C#N)c(Nc3ccc(C#Cc4ccccn4)c4c3OCO4)c2cc1OCC

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SRC P12931 10/20 0.54
EGFR P00533 6/20 0.49
ERBB2 P04626 6/20 0.49
STK4 Q13043 3/20 0.46
STK3 Q13188 2/20 0.46

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
SCHEMBL5460403 0.92 SRC (0.56) SRCEGFRERBB2
Hydrochloric Acid SCHEMBL5490823 0.91 SRC (0.55) SRCEGFRERBB2
SCHEMBL5460734 0.83 SRC (0.56) SRCEGFRERBB2
Hydrochloric Acid SCHEMBL5485172 0.82 SRC (0.55) SRCEGFRERBB2
SCHEMBL4487359 0.80 SRC (0.57) SRCEGFRERBB2
SCHEMBL4498795 0.79 SRC (0.63) SRCEGFRERBB2
SCHEMBL5452058 0.78 SRC (0.55) SRCEGFRERBB2
Hydrochloric Acid SCHEMBL6208463 0.77 SRC (0.55) SRCEGFRERBB2
Hydrochloric Acid SCHEMBL5466160 0.77 SRC (0.55) SRCEGFRERBB2
SCHEMBL4495250 0.77 SRC (0.60) SRCEGFRERBB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1521751-A1 SUBSTITUTED 3-CYANOQUINOLINES AS MEK INHIBITORS Astrazeneca AB (SE) 2005-04-13 EP claimed
WO-2004005284-A1 SUBSTITUTED 3-CYANOQUINOLINES AS MEK INHIBITORS ASTRAZENECA AB (SE) 2004-01-15 WO claimed