SCHEMBL17030249

SCHEMBL17030249

ONc1ccc2ncc(-c3ccc(OCCN4CCOCC4)cc3)nc2n1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.67
PIK3CA P42336 1/20 0.67
MAPK8 P45983 1/20 0.67
MAPK9 P45984 1/20 0.67
MAPK10 P53779 1/20 0.67
MET P08581 1/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
ACHE P22303 3/20 0.48
BCHE P06276 1/20 0.48
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
LTA4H P09960 1/20 0.45
TBK1 Q9UHD2 3/20 0.44
IKBKE Q14164 1/20 0.44
SYK P43405 1/20 0.44
KDM1A O60341 1/20 0.44
HDAC1 Q13547 1/20 0.44

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
SCHEMBL12979934 0.83 MAPK1 (0.64) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL12979935 0.81 MAPK1 (0.62) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL14506616 0.80 MAPK1 (1.00) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL17030282 0.80 MAPK1 (0.77) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL12982658 0.79 MAPK1 (1.00) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL24263630 0.77 HDAC1 (0.62) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL17030281 0.77 MAPK1 (0.61) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL17030243 0.77 MAPK1 (0.61) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL12979811 0.76 MAPK1 (0.60) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL12979814 0.75 MAPK1 (0.57) MAPK1PIK3CAMAPK8MAPK9MAPK10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2694067-B1 PYRIDOPYRAZINE DERIVATIVES AND THEIR USE TERNA ZENTARIS GMBH (DE) 2015-08-26 EP disclosed