SCHEMBL4054735

SCHEMBL4054735

COc1ccc2ncc[c]c2n1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 11/20 0.34
PDE2A O00408 2/20 0.33
PDGFRB P09619 1/20 0.33
PDGFRA P16234 1/20 0.33
POLB P06746 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
SIRT2 Q8IXJ6 1/20 0.31
SIRT1 Q96EB6 1/20 0.31
NNMT P40261 1/20 0.31
CYP1A2 P05177 1/20 0.31
KMT2A Q03164 1/20 0.31
PIK3CD O00329 1/20 0.31
PIP5K1C O60331 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CB P42338 1/20 0.31
PI4KA P42356 1/20 0.31
PIK3CG P48736 1/20 0.31
PI4KB Q9UBF8 1/20 0.31
CLK1 P49759 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
SCHEMBL3569692 0.74 HTT (0.41) PDGFRBPDGFRAPOLBKMT2A
SCHEMBL10994055 0.71 CYP1A2 (0.38) PDGFRBPDGFRAPOLBTDP1SIRT2
SCHEMBL3956168 0.70 KDM4E (0.35) POLBTDP1SIRT2SIRT1NNMT
SCHEMBL28511107 0.70 PDGFRB (0.42) PDGFRBPDGFRAKMT2A
SCHEMBL9972594 0.69 KMT2A (0.42) PDE10APDE2APDGFRBPDGFRAPOLB
SCHEMBL16751340 0.69 PDE10A (0.46) PDE10APDE2APOLBTDP1SIRT2
SCHEMBL30406083 0.68 PDGFRB (0.47) PDE10APDE2APDGFRBPDGFRAPOLB
SCHEMBL622722 0.68 PDGFRB (0.47) PDE10APDE2APDGFRBPDGFRAPOLB
SCHEMBL20563409 0.67 KMT2A (0.37) POLBTDP1SIRT2SIRT1NNMT
SCHEMBL23084868 0.66 KCNH2 (0.44) PDE10APDE2APDGFRBPDGFRAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004032856-A2 COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2004-04-22 WO claimed
EP-1773343-A4 ANTIBACTERIAL AGENTS GLAXO GROUP LTD (GB) 2009-05-13 EP disclosed
EP-1846411-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2007-10-24 EP disclosed
EP-1773343-A1 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2007-04-18 EP disclosed
WO-2006081289-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2006-08-03 WO disclosed
WO-2006017326-A1 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2006-02-16 WO disclosed
WO-2004032856-A2 COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2004-04-22 WO disclosed