SCHEMBL7875683

SCHEMBL7875683

Cc1ccc(CCNc2nc(CC(=O)NCCONC(=N)N)c(C)[nH]c2=O)cc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F2 P00734 11/20 0.38
PRSS1 P07477 9/20 0.38
PRSS2 P07478 8/20 0.38
PRSS3 P35030 8/20 0.38
F7 P08709 2/20 0.37
F3 P13726 2/20 0.37
EPHX2 P34913 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
GPR84 Q9NQS5 1/20 0.35
KMT2A Q03164 3/20 0.34
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL7876215 0.94 F2 (0.44) F2PRSS1PRSS2PRSS3F7
SCHEMBL7876195 0.93 F2 (0.45) F2PRSS1PRSS2PRSS3F7
SCHEMBL7878630 0.93 KDM4E (0.40) F2PRSS1PRSS2PRSS3F7
SCHEMBL7876024 0.92 F2 (0.46) F2PRSS1PRSS2PRSS3F7
SCHEMBL7872482 0.91 F2 (0.33) F2PRSS1PRSS2PRSS3SMN1; SMN2
SCHEMBL7874319 0.91 F2 (0.47) F2PRSS1PRSS2PRSS3F7
SCHEMBL7876206 0.91 F2 (0.36) F2PRSS1PRSS2PRSS3SMN1; SMN2
SCHEMBL7878820 0.90 JAK3 (0.37) F2PRSS1PRSS2PRSS3F7
SCHEMBL7876000 0.89 F2 (0.47) F2PRSS1PRSS2PRSS3F7
SCHEMBL7878666 0.89 USP2 (0.48) F2PRSS1PRSS2PRSS3SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1086122-A1 PYRAZINONE PROTEASE INHIBITORS Johnson & Johnson Pharmaceutical Research & Development, L.L.C. (US) 2001-03-28 EP claimed
WO-1999064446-A1 PYRAZINONE PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1999-12-16 WO claimed
EP-1086122-A1 PYRAZINONE PROTEASE INHIBITORS Johnson & Johnson Pharmaceutical Research & Development, L.L.C. (US) 2001-03-28 EP disclosed
WO-1999064446-A1 PYRAZINONE PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1999-12-16 WO disclosed