SCHEMBL4320263

SCHEMBL4320263

CC[C@@H](NC(=N)N)C(N)=O

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
ECE1 P42892 1/20 0.32
CAD P27708 1/20 0.32
CA12 O43570 1/20 0.30
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
MMP8 P22894 1/20 0.30
CA9 Q16790 1/20 0.30
ACE P12821 1/20 0.30
CTSD P07339 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
SCHEMBL5683578 1.00 CA1 (0.34) CA1CA2ECE1CADCA12
Trifluoroacetic Acid SCHEMBL4334971 0.87 PADI4 (0.37) CA1CA2CA12CA9
SCHEMBL345247 0.84 TGFBR1 (0.41) ECE1ACE
SCHEMBL29211036 0.84 TGFBR1 (0.41) ECE1ACE
Hydrochloric Acid SCHEMBL8615755 0.83 TGFBR1 (0.39) ECE1ACE
SCHEMBL7719713 0.83 CA1 (0.36) CA1CA2ECE1CADCA12
SCHEMBL4320796 0.83 CA1 (0.36) CA1CA2ECE1CADCA12
SCHEMBL4332338 0.83 CA1 (0.36) CA1CA2ECE1CADCA12
SCHEMBL5307346 0.81 CAD (0.46) CA1CA2ECE1CADCA12
SCHEMBL21045069 0.81 TGFBR1 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2285785-B1 3,5-DIAMINO-6-CHLORO-PYRAZINE-2-CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS EPITHELIAL SODIUM CHANNEL BLOCKERS FOR THE TREATMENT OF ARWAY DISEASES NOVARTIS AG (CH) 2012-09-05 EP claimed
WO-2009138378-A1 3,5-DIAMINO-6-CHLORO-PYRAZINE-2-CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS EPITHELIAL SODIUM CHANNEL BLOCKERS FOR THE TREATMENT OF ARWAY DISEASES NOVARTIS AG (CH) 2009-11-19 WO claimed
US-8664228-B2 3,5-diamino-6-chloro-pyrazine-2-carboxylic acid derivatives and their use as epithelial sodium channel blockers for the treatment of airway diseases NOVARTIS AG (CH) 2014-03-04 US disclosed
EP-2285785-B1 3,5-DIAMINO-6-CHLORO-PYRAZINE-2-CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS EPITHELIAL SODIUM CHANNEL BLOCKERS FOR THE TREATMENT OF ARWAY DISEASES NOVARTIS AG (CH) 2012-09-05 EP disclosed
WO-2009138378-A1 3,5-DIAMINO-6-CHLORO-PYRAZINE-2-CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS EPITHELIAL SODIUM CHANNEL BLOCKERS FOR THE TREATMENT OF ARWAY DISEASES NOVARTIS AG (CH) 2009-11-19 WO disclosed