SCHEMBL7846342

SCHEMBL7846342

COc1cc2c(Oc3ccc4[nH]c(C)cc4c3)ncnc2cc1OCCC1CCCN1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 13/20 0.51
FLT4 P35916 6/20 0.51
TEK Q02763 5/20 0.51
AURKB Q96GD4 5/20 0.51
FLT1 P17948 5/20 0.51
MET P08581 4/20 0.51
RET P07949 2/20 0.51
PDGFRB P09619 2/20 0.51
EGFR P00533 2/20 0.51
PLK4 O00444 1/20 0.51
GAK O14976 1/20 0.51
EPHB6 O15197 1/20 0.51
RIPK2 O43353 1/20 0.51
ERN1 O75460 1/20 0.51
STK10 O94804 1/20 0.51
MAP4K4 O95819 1/20 0.51
CHEK2 O96017 1/20 0.51
ABL1 P00519 1/20 0.51
ERBB2 P04626 1/20 0.51
LCK P06239 1/20 0.51

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
SCHEMBL4380414 0.87 KDR (0.49) KDRFLT4TEKAURKBFLT1
SCHEMBL4388863 0.85 PDGFRB (0.47) KDRFLT4TEKAURKBFLT1
SCHEMBL4377424 0.85 KDR (0.47) KDRFLT4TEKAURKBFLT1
SCHEMBL664052 0.84 KDM1A (0.54) KDRFLT4TEKAURKBFLT1
SCHEMBL4384168 0.84 KDR (0.51) KDRFLT4TEKAURKBFLT1
SCHEMBL4374362 0.83 FLT4 (0.67) KDRFLT4TEKAURKBFLT1
SCHEMBL6366685 0.83 KDR (0.49) KDRFLT4TEKAURKBFLT1
SCHEMBL4377595 0.83 KDR (0.54) KDRFLT4TEKAURKBFLT1
SCHEMBL4371598 0.83 KDR (0.54) KDRFLT4TEKAURKBFLT1
SCHEMBL4376394 0.83 ABCB11 (0.68) KDRFLT4TEKAURKBFLT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1154774-A1 QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS AstraZeneca AB (SE) 2001-11-21 EP claimed
WO-2000047212-A1 QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS ASTRAZENECA AB (SE) 2000-08-17 WO claimed
EP-1154774-A1 QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS AstraZeneca AB (SE) 2001-11-21 EP disclosed
WO-2000047212-A1 QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS ASTRAZENECA AB (SE) 2000-08-17 WO disclosed