SCHEMBL6998421

SCHEMBL6998421

CCOc1ccc2c(Nc3ccc(Oc4ccncc4)c(Cl)c3)c(C#N)cnc2c1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EGFR P00533 8/20 0.56
ERBB2 P04626 6/20 0.56
STK4 Q13043 7/20 0.48
SRC P12931 2/20 0.47
STK3 Q13188 3/20 0.46
MAP2K1 Q02750 1/20 0.43

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
SCHEMBL2200289 0.87 EGFR (0.64) EGFRERBB2STK4SRCSTK3
SCHEMBL6999406 0.87 EGFR (0.56) EGFRERBB2STK4SRCSTK3
SCHEMBL6996969 0.82 EGFR (0.57) EGFRERBB2STK4SRCSTK3
SCHEMBL6995272 0.80 MAP2K1 (0.50) EGFRERBB2STK4STK3MAP2K1
SCHEMBL2203881 0.79 EGFR (0.65) EGFRERBB2STK4SRCSTK3
SCHEMBL31661626 0.79 EGFR (0.65) EGFRERBB2STK4SRCSTK3
SCHEMBL6383813 0.79 EGFR (0.65) EGFRERBB2
SCHEMBL6382063 0.78 EGFR (0.66) EGFRERBB2SRC
SCHEMBL6998717 0.77 EGFR (0.45) EGFRERBB2STK4SRCSTK3
SCHEMBL14855066 0.76 STK4 (0.53) EGFRERBB2STK4SRCSTK3

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-1117659-B1 SUBSTITUTED 3-CYANOQUINOLINES AS PROTEIN TYROSINE KINASES INHIBITORS WYETH CORP (US) 2003-12-03 EP claimed