SCHEMBL8314465

SCHEMBL8314465

Nc1cnc2nonc2c1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.34
MAPKAPK2 P49137 1/20 0.32
RPS6KA3 P51812 1/20 0.32
CSNK2A1 P68400 1/20 0.32
PLK3 Q9H4B4 1/20 0.32
EGFR P00533 1/20 0.31
ENPP2 Q13822 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
SCHEMBL15651466 0.68 EGFR (0.36) EGFR
SCHEMBL4987651 0.66 KDM4E (0.38) RPS6KA3EGFR
SCHEMBL3191645 0.65 ENPP2 (0.54) EGFRENPP2
SCHEMBL8313715 0.65 PTPN11 (0.48) EGFR
SCHEMBL14656791 0.64 KDM4E (0.38) EGFR
SCHEMBL14506729 0.64 PIK3CA (0.35) MAPKAPK2RPS6KA3CSNK2A1PLK3EGFR
SCHEMBL10276914 0.64 HTT (0.35)
SCHEMBL18150491 0.64 GSK3A (0.40) EGFR
SCHEMBL31344848 0.61 DYRK1A (0.33)
SCHEMBL30548526 0.61 DYRK1A (0.33) EGFR

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-0733626-B1 N-(Benzofuranazyl)-arylsulphonamides and their analogues useful as endothelin-receptor-antagonists MERCK PATENT GMBH (DE) 1999-01-13 EP disclosed
US-5726194-A Endothelin receptor antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-03-10 US disclosed
EP-0733626-A1 N-(Benzofuranazyl)-arylsulphonamides and their analogues useful as endothelin-receptor-antagonists MERCK PATENT GmbH (DE) 1996-09-25 EP disclosed