SCHEMBL7067557

SCHEMBL7067557

CN1CCC(COc2cc(OC3CCOCC3)c3c(Nc4cc(Cl)cc5occc45)c(C#N)cnc3c2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 16/20 0.50
KDR P35968 4/20 0.50
ABL1 P00519 12/20 0.47
ABL2 P42684 12/20 0.47
IKBKE Q14164 3/20 0.41
TBK1 Q9UHD2 3/20 0.41
EGFR P00533 2/20 0.41
BMPR1B O00238 1/20 0.39
GAK O14976 1/20 0.39
EPHB6 O15197 1/20 0.39
RIPK2 O43353 1/20 0.39
STK10 O94804 1/20 0.39
MAP4K4 O95819 1/20 0.39
LCK P06239 1/20 0.39
FYN P06241 1/20 0.39
YES1 P07947 1/20 0.39
LYN P07948 1/20 0.39
RET P07949 1/20 0.39
HCK P08631 1/20 0.39
PDGFRB P09619 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
SCHEMBL7068724 0.91 SRC (0.51) SRCKDRABL1ABL2EGFR
SCHEMBL7068171 0.90 SRC (0.53) SRCKDRABL1ABL2IKBKE
SCHEMBL7068269 0.89 SRC (0.58) SRCKDRABL1ABL2IKBKE
SCHEMBL7068176 0.88 SRC (0.52) SRCKDRABL1ABL2EGFR
SCHEMBL7065783 0.88 SRC (0.48) SRCKDRABL1ABL2TBK1
SCHEMBL7069001 0.84 IKBKE (0.38) SRCKDRABL1ABL2IKBKE
SCHEMBL7069103 0.83 MAP3K8 (0.37) SRCKDRABL1ABL2TBK1
SCHEMBL3671269 0.80 SRC (0.76) SRCKDRABL1ABL2EGFR
SCHEMBL7067679 0.80 SRC (0.58) SRCKDRABL1ABL2EGFR
SCHEMBL7069374 0.77 SRC (0.56) SRCKDRABL1ABL2TBK1

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
WO-2003047585-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING BENZOFURANYL SUBSTITUTED 3-CYANOQUINOLINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF SOLID TUMOURS ASTRAZENECA AB (SE) 2003-06-12 WO disclosed