SCHEMBL7065783

SCHEMBL7065783

N#Cc1cnc2cc(OCCN3CCCCC3)cc(OC3CCOCC3)c2c1Nc1cc(Cl)cc2occc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 14/20 0.48
KDR P35968 8/20 0.47
TBK1 Q9UHD2 4/20 0.45
EGFR P00533 3/20 0.45
LCK P06239 2/20 0.45
YES1 P07947 2/20 0.45
CSK P41240 2/20 0.45
FGFR1 P11362 1/20 0.45
AURKB Q96GD4 1/20 0.45
MAP2K1 Q02750 2/20 0.44
BMPR1B O00238 1/20 0.44
GAK O14976 1/20 0.44
EPHB6 O15197 1/20 0.44
RIPK2 O43353 1/20 0.44
STK10 O94804 1/20 0.44
MAP4K4 O95819 1/20 0.44
ABL1 P00519 1/20 0.44
FYN P06241 1/20 0.44
LYN P07948 1/20 0.44
RET P07949 1/20 0.44

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 0.95 SRC (0.51) SRCKDREGFRLCKYES1
SCHEMBL7068171 0.92 SRC (0.53) SRCKDRTBK1EGFRLCK
SCHEMBL7069374 0.89 SRC (0.56) SRCKDRTBK1EGFRLCK
SCHEMBL7067557 0.88 SRC (0.50) SRCKDRTBK1EGFRLCK
SCHEMBL7069103 0.87 MAP3K8 (0.37) SRCKDRTBK1EGFRLCK
SCHEMBL7067679 0.84 SRC (0.58) SRCKDREGFRLCKYES1
SCHEMBL7069410 0.84 SRC (0.54) SRCKDRTBK1EGFRLCK
SCHEMBL7069001 0.84 IKBKE (0.38) SRCKDRTBK1EGFRLCK
SCHEMBL7068176 0.83 SRC (0.52) SRCKDREGFRMAP2K1ABL1
SCHEMBL3677472 0.80 SRC (0.73) SRCKDREGFRLCKYES1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003047584-A1 QUINOLINE DERIVATIVES ASTRAZENECA AB (SE) 2003-06-12 WO disclosed
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