SCHEMBL13083333

SCHEMBL13083333

Nc1ccc2ncc(-c3ccc(OCCOCCOCCO)cc3)nc2n1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.53
NCF1 P14598 9/20 0.47
APP P05067 6/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PIK3CA P42336 2/20 0.39
MAPK8 P45983 2/20 0.39
MAPK9 P45984 2/20 0.39
MAPK10 P53779 2/20 0.39

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
SCHEMBL19480349 0.84 KDM4E (0.47) MAPK1NCF1APPL3MBTL1KDM4E
SCHEMBL17030281 0.84 MAPK1 (0.61) MAPK1APPL3MBTL1KDM4ENPC1
SCHEMBL17030243 0.84 MAPK1 (0.61) MAPK1APPL3MBTL1KDM4ENPC1
SCHEMBL17030289 0.83 MAPK1 (0.60) MAPK1APPL3MBTL1KDM4ENPC1
SCHEMBL12986982 0.82 MAPK1 (0.52) MAPK1APPL3MBTL1KDM4ENPC1
SCHEMBL17030247 0.77 MAPK1 (0.42) MAPK1APPL3MBTL1KDM4ENPC1
SCHEMBL4698769 0.75 BCHE (0.54) MAPK1ALDH1A1MAPTHPGDPIK3CA
SCHEMBL12979981 0.74 MAPK1 (0.70) MAPK1L3MBTL1ALDH1A1PIK3CAMAPK8
SCHEMBL13083328 0.74 SMN1; SMN2 (0.46) MAPK1APPKDM4ENPC1ALDH1A1
SCHEMBL13191745 0.72 NPC1 (0.47) MAPK1L3MBTL1KDM4ENPC1ALDH1A1

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
WO-2012136691-A1 PYRIDOPYRAZINE DERIVATIVES AND THEIR USE ÆTERNA ZENTARIS GMBH (DE) 2012-10-11 WO disclosed
EP-2508184-A1 Pyridopyrazine derivatives and their use Æterna Zentaris GmbH (DE) 2012-10-10 EP disclosed