SCHEMBL4597808

SCHEMBL4597808

N#Cc1ccc(COc2cccc(Oc3ccnc(Cl)n3)c2)cc1.N=C(N)c1ccc(COc2cccc(Oc3ccnc(Cl)n3)c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F2 P00734 11/20 0.50
F10 P00742 2/20 0.47
PRSS1 P07477 1/20 0.45
PRSS2 P07478 1/20 0.45
PRSS3 P35030 1/20 0.45
TMPRSS6 Q8IU80 1/20 0.45
ST14 Q9Y5Y6 1/20 0.45
SMPD1 P17405 1/20 0.45

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
SCHEMBL3278076 0.92 F2 (0.55) F2F10PRSS1PRSS2PRSS3
SCHEMBL3277603 0.90 SMPD1 (0.48) SMPD1
SCHEMBL3279407 0.86 F2 (0.54) F2F10PRSS1PRSS2PRSS3
SCHEMBL3278168 0.83 F2 (0.60) F2F10
SCHEMBL3284334 0.80 MAOB (0.48)
SCHEMBL3281929 0.77 F2 (0.58) F2F10
SCHEMBL7071599 0.74 MAP4K4 (0.45) F2F10
SCHEMBL3278218 0.73 LOXL2 (0.43) F2SMPD1
SCHEMBL23902232 0.70 PRSS1 (0.79) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL7071621 0.70 GRM5 (0.43)

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-1907368-A1 2-CYANO-PYRIMIDINES AND -TRIAZINES AS CYSTEINE PROTEASE INHIBITORS Novartis AG (CH) 2008-04-09 EP disclosed
WO-2007009715-A1 2-CYANO-PYRIMIDINES AND -TRIAZINES AS CYSTEINE PROTEASE INHIBITORS NOVARTIS AG (CH) 2007-01-25 WO disclosed