SCHEMBL5747243

SCHEMBL5747243

COc1ccc2ncc(Cl)c(O)c2n1.COc1ccc2nccc(O)c2n1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.33
PDE2A O00408 3/20 0.33
PDE10A Q9Y233 3/20 0.33
EGFR P00533 1/20 0.32
PTPN11 Q06124 1/20 0.32
PDE7A Q13946 1/20 0.31

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
SCHEMBL2770307 0.90 KCNH2 (0.36) KCNH2PDE2APDE10AEGFRPDE7A
SCHEMBL29692824 0.90 KCNH2 (0.36) KCNH2PDE2APDE10AEGFRPDE7A
SCHEMBL592329 0.86 EGFR (0.38) KCNH2EGFR
SCHEMBL29692873 0.86 EGFR (0.38) KCNH2EGFR
SCHEMBL3618668 0.79 CSF1R (0.35) KCNH2PTPN11
SCHEMBL25492677 0.77 MAPT (0.37)
SCHEMBL3824367 0.77 KDM4E (0.39) EGFR
SCHEMBL29692936 0.77 PDE2A (0.39) KCNH2PDE2APDE10AEGFR
SCHEMBL590921 0.77 PDE2A (0.39) KCNH2PDE2APDE10AEGFR
SCHEMBL14161282 0.76 EGFR (0.36) KCNH2EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1578743-A4 ANTIBACTERIAL AGENTS GLAXO GROUP LTD (GB) 2006-11-29 EP disclosed
EP-1578743-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2005-09-28 EP disclosed
WO-2004058144-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2004-07-15 WO disclosed