SCHEMBL7850002

SCHEMBL7850002

COc1cc2c(Oc3ccc4[nH]c(C)cc4c3)ncnc2cc1OC(C)C1CCCNC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 10/20 0.43
MET P08581 3/20 0.43
TEK Q02763 3/20 0.43
AURKB Q96GD4 3/20 0.43
AURKA O14965 2/20 0.43
RET P07949 3/20 0.42
KIT P10721 3/20 0.41
PDGFRA P16234 3/20 0.41
EGFR P00533 4/20 0.41
LCK P06239 3/20 0.41
PLK4 O00444 1/20 0.41
GAK O14976 1/20 0.41
EPHB6 O15197 1/20 0.41
RIPK2 O43353 1/20 0.41
ERN1 O75460 1/20 0.41
STK10 O94804 1/20 0.41
MAP4K4 O95819 1/20 0.41
CHEK2 O96017 1/20 0.41
ABL1 P00519 1/20 0.41
ERBB2 P04626 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
SCHEMBL7847381 0.88 KDR (0.41) KDRMETTEKAURKBAURKA
SCHEMBL7854726 0.85 KDR (0.42) KDRMETTEKAURKBAURKA
SCHEMBL4375176 0.81 IRAK4 (0.44) KDRMETTEKAURKBAURKA
SCHEMBL664801 0.81 KDR (0.48) KDRMETTEKAURKBAURKA
SCHEMBL7845204 0.80 KDR (0.45) KDRMETTEKAURKBAURKA
SCHEMBL7853443 0.80 KDM1A (0.44) KDRMETTEKAURKBAURKA
SCHEMBL4377850 0.79 KDR (0.41) KDRMETTEKAURKBAURKA
SCHEMBL7847135 0.79 KDR (0.45) KDRMETTEKAURKBAURKA
SCHEMBL665297 0.79 RAF1 (0.52) KDRMETTEKAURKBAURKA
SCHEMBL6366685 0.79 KDR (0.49) KDRMETTEKAURKBAURKA

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