SCHEMBL6992365

SCHEMBL6992365

COc1ccc2c(Nc3ccc(N(Cc4cccnc4)C(C)=O)c(Cl)c3)c(C#N)cnc2c1NC(C)=O

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
STK4 Q13043 3/20 0.49
EGFR P00533 9/20 0.48
ERBB2 P04626 8/20 0.48
MAP3K8 P41279 5/20 0.47
STK3 Q13188 2/20 0.44
SRC P12931 2/20 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
KDR P35968 1/20 0.41
TP53 P04637 1/20 0.41

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 0.91 MAP3K8 (0.48) STK4EGFRERBB2MAP3K8STK3
SCHEMBL6996533 0.90 MAP3K8 (0.47) STK4EGFRERBB2MAP3K8SRC
SCHEMBL4445586 0.87 STK4 (0.63) STK4EGFRERBB2STK3SRC
SCHEMBL4451215 0.84 EGFR (0.55) STK4EGFRERBB2SRC
SCHEMBL4450592 0.83 EGFR (0.53) STK4EGFRERBB2MAP3K8SRC
SCHEMBL7001712 0.82 MAP2K1 (0.54) EGFRERBB2MAP3K8SRC
SCHEMBL4451042 0.79 EGFR (0.78) STK4EGFRERBB2STK3SRC
SCHEMBL4451048 0.79 EGFR (0.78) STK4EGFRERBB2STK3SRC
SCHEMBL4448963 0.77 MAP2K1 (0.70) EGFRERBB2SRC
SCHEMBL6999196 0.72 EGFR (0.59) STK4EGFRERBB2MAP3K8SRC

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