SCHEMBL6998717

SCHEMBL6998717

CCOc1ccc2c(Nc3ccc(Nc4nnc(C(F)(F)F)s4)c(Cl)c3)c(C#N)cnc2c1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 10/20 0.45
ERBB2 P04626 6/20 0.45
STK4 Q13043 9/20 0.43
SRC P12931 2/20 0.42
STK3 Q13188 3/20 0.40
STK25 O00506 1/20 0.39
CIT O14578 1/20 0.39
CHEK1 O14757 1/20 0.39
GAK O14976 1/20 0.39
DAPK3 O43293 1/20 0.39
JAK2 O60674 1/20 0.39
STK17B O94768 1/20 0.39
STK10 O94804 1/20 0.39
MAP4K4 O95819 1/20 0.39
ABL1 P00519 1/20 0.39
LCK P06239 1/20 0.39
FYN P06241 1/20 0.39
FES P07332 1/20 0.39
CSF1R P07333 1/20 0.39
YES1 P07947 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
SCHEMBL6994196 0.88 EGFR (0.47) EGFRERBB2STK4SRCSTK3
SCHEMBL2203851 0.88 EGFR (0.53) EGFRERBB2STK4SRCSTK3
SCHEMBL2200535 0.81 EGFR (0.57) EGFRERBB2STK4SRCSTK3
SCHEMBL6998421 0.77 EGFR (0.56) EGFRERBB2STK4SRCSTK3
SCHEMBL2205129 0.75 EGFR (0.74) EGFRERBB2STK4SRCSTK3
SCHEMBL2205116 0.75 EGFR (0.74) EGFRERBB2STK4SRCSTK3
SCHEMBL6995272 0.74 MAP2K1 (0.50) EGFRERBB2STK4STK3MAP2K1
SCHEMBL6382063 0.74 EGFR (0.66) EGFRERBB2SRC
SCHEMBL6996969 0.74 EGFR (0.57) EGFRERBB2STK4SRCSTK3
SCHEMBL6383813 0.74 EGFR (0.65) EGFRERBB2GAK

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