SCHEMBL798401

SCHEMBL798401

Nc1nc(N)c(C(=O)NC2NCC3(CCN(C(=O)c4cccc(S(=O)(=O)NCCC(=O)OCC(=O)N5CCCC5C(F)(F)F)c4)CC3)N2)nc1Cl

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DDR1 Q08345 13/20 0.36
APEX1 P27695 1/20 0.35
ALDH1A1 P00352 2/20 0.32
LMNA P02545 2/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KDM4E B2RXH2 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
PKM P14618 1/20 0.30
RAB9A P51151 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
SCHEMBL14685916 0.87 APEX1 (0.36) APEX1ALDH1A1LMNAMAPK1SMN1; SMN2
SCHEMBL781957 0.86 DDR1 (0.36) DDR1APEX1ALDH1A1LMNAMAPK1
SCHEMBL781955 0.86 DDR1 (0.36) DDR1APEX1ALDH1A1LMNAMAPK1
SCHEMBL29798955 0.86 DDR1 (0.36) DDR1APEX1ALDH1A1LMNAMAPK1
SCHEMBL15266530 0.84 ALDH1A1 (0.35) APEX1ALDH1A1LMNAMAPK1SMN1; SMN2
Succinic Acid SCHEMBL15267096 0.82 ALDH1A1 (0.34) ALDH1A1LMNAMAPK1SMN1; SMN2PKM
SCHEMBL801411 0.79 DDR1 (0.37) DDR1ALDH1A1LMNAMAPK1SMN1; SMN2
SCHEMBL782104 0.78 DDR1 (0.35) DDR1
SCHEMBL782106 0.78 DDR1 (0.35) DDR1
SCHEMBL29798823 0.78 DDR1 (0.35) DDR1

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-2616447-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS Novartis AG (CH) 2013-07-24 EP disclosed
WO-2012035158-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS NOVARTIS AG (CH) 2012-03-22 WO disclosed