SCHEMBL7127947

SCHEMBL7127947

COc1cc2c(Oc3ccc4cc(C)[nH]c4c3)cnnc2cc1OC(C(=O)OC(C)(C)C)C1CCNCC1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 2/20 0.35
PDGFRB P09619 1/20 0.33
AAK1 Q2M2I8 1/20 0.32
PDE10A Q9Y233 6/20 0.31
AURKA O14965 1/20 0.30
ABL1 P00519 1/20 0.30
LCK P06239 1/20 0.30
LYN P07948 1/20 0.30
MET P08581 1/20 0.30
FGR P09769 1/20 0.30
KDR P35968 1/20 0.30
TEK Q02763 1/20 0.30
AURKB Q96GD4 1/20 0.30

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
SCHEMBL7128004 0.85 KDR (0.41) PDGFRBABL1LCKLYNMET
SCHEMBL7847654 0.80 KDR (0.44) AURKAMETKDRTEKAURKB
SCHEMBL7128426 0.79 PDE10A (0.38) PDGFRBPDE10A
SCHEMBL5015530 0.78 EGFR (0.42) PDE10AMETKDR
SCHEMBL5017339 0.77 CHEK2 (0.44) PDE10A
SCHEMBL13998242 0.72 EGFR (0.42) PDE10AMETKDR
SCHEMBL7848154 0.71 KDR (0.43) AURKAMETKDRTEKAURKB
SCHEMBL7838003 0.70 KDR (0.39) AURKAMETKDRTEKAURKB
SCHEMBL5912648 0.70 ENPP1 (0.43) PDGFRBKDR
SCHEMBL7129696 0.69 KDR (0.47) PDGFRBPDE10AABL1LCKLYN

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
EP-1309587-A1 CINNOLINE COMPOUNDS AstraZeneca AB (SE) 2003-05-14 EP disclosed
WO-2002012228-A1 CINNOLINE COMPOUNDS ASTRAZENECA AB (SE) 2002-02-14 WO disclosed