SCHEMBL4334976

SCHEMBL4334976

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.38
POLB P06746 2/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPK1 P28482 1/20 0.33
CA3 P07451 2/20 0.33
CA5A P35218 2/20 0.33
CA5B Q9Y2D0 2/20 0.33
CA12 O43570 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA7 P43166 1/20 0.33
CA14 Q9ULX7 1/20 0.33
SYK P43405 1/20 0.31
ITGB3 P05106 1/20 0.31
ITGA2B P08514 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
SCHEMBL4335002 0.88 EPHX1 (0.39) EPHX1POLBALDH1A1SMN1; SMN2MEN1
SCHEMBL4324192 0.88 EPHX1 (0.39) EPHX1POLBALDH1A1SMN1; SMN2MEN1
SCHEMBL4334897 0.76 HDAC6 (0.34) MEN1KMT2A
SCHEMBL19090809 0.72
SCHEMBL14727557 0.69 EPHX1 (0.42) EPHX1POLBALDH1A1SMN1; SMN2MEN1
SCHEMBL28433171 0.68 ALDH1A1 (0.52) EPHX1POLBALDH1A1SMN1; SMN2MEN1
SCHEMBL17234339 0.68 ITGB3 (0.38) POLBCA12CA2CA9ITGB3
SCHEMBL17234584 0.68 ITGB3 (0.38) POLBCA12CA2CA9ITGB3
SCHEMBL17234581 0.68 ITGB3 (0.38) POLBCA12CA2CA9ITGB3
SCHEMBL19882870 0.67 ALDH1A1 (0.46) EPHX1POLBALDH1A1SMN1; SMN2MEN1

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
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