SCHEMBL6996533

SCHEMBL6996533

COc1ccc2c(Nc3ccc(N(Cc4cccnc4)C(C)=O)c(Cl)c3)c(C#N)cnc2c1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAP3K8 P41279 5/20 0.47
EGFR P00533 9/20 0.46
ERBB2 P04626 8/20 0.46
STK4 Q13043 3/20 0.44
SRC P12931 3/20 0.41
MAPK13 O15264 1/20 0.41
EIF2AK2 P19525 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 1/20 0.41
MAPK14 Q16539 1/20 0.41
TP53 P04637 1/20 0.40

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
SCHEMBL7001084 0.90 MAP3K8 (0.48) MAP3K8EGFRERBB2STK4SRC
SCHEMBL6992365 0.90 STK4 (0.49) MAP3K8EGFRERBB2STK4SRC
SCHEMBL4450592 0.89 EGFR (0.53) MAP3K8EGFRERBB2STK4SRC
SCHEMBL4451215 0.83 EGFR (0.55) EGFRERBB2STK4SRC
SCHEMBL6999196 0.83 EGFR (0.59) MAP3K8EGFRERBB2STK4SRC
SCHEMBL4445586 0.82 STK4 (0.63) EGFRERBB2STK4SRC
SCHEMBL7001712 0.81 MAP2K1 (0.54) MAP3K8EGFRERBB2SRC
SCHEMBL4451048 0.77 EGFR (0.78) EGFRERBB2STK4SRCEIF2AK2
SCHEMBL4451042 0.77 EGFR (0.78) EGFRERBB2STK4SRCEIF2AK2
SCHEMBL4448963 0.77 MAP2K1 (0.70) EGFRERBB2SRC

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