SCHEMBL6992167

SCHEMBL6992167

COc1ccc2c(Nc3ccc(C4C(=O)N(C)C(=O)N(C)C4=O)c(Cl)c3)c(C#N)cnc2c1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EGFR P00533 12/20 0.46
ERBB2 P04626 10/20 0.46
SRC P12931 5/20 0.46
IGF1R P08069 1/20 0.41
STK4 Q13043 1/20 0.41
MAP3K8 P41279 1/20 0.41
MAP2K1 Q02750 1/20 0.39

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
SCHEMBL4454659 0.88 SRC (0.55) EGFRERBB2SRCIGF1RSTK4
SCHEMBL6382063 0.82 EGFR (0.66) EGFRERBB2SRCMAP3K8
SCHEMBL7001573 0.78 EGFR (0.55) EGFRERBB2SRCIGF1RSTK4
SCHEMBL7001957 0.77 IGF1R (0.71) EGFRERBB2IGF1RMAP2K1
SCHEMBL6384796 0.76 EGFR (0.64) EGFRERBB2
SCHEMBL6384002 0.75 EGFR (0.52) EGFRERBB2SRCMAP3K8MAP2K1
SCHEMBL6998072 0.74 MAP2K1 (0.57) EGFRERBB2SRCIGF1RMAP2K1
SCHEMBL6999196 0.73 EGFR (0.59) EGFRERBB2SRCSTK4MAP3K8
SCHEMBL6379771 0.72 SRC (0.61) EGFRERBB2SRCSTK4MAP3K8
SCHEMBL6383067 0.72 EGFR (0.69) EGFRERBB2SRCMAP3K8

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