SCHEMBL17030282

SCHEMBL17030282

c1ccc(CCCCNNc2ccc3ncc(-c4ccc(OCCN5CCOCC5)cc4)nc3n2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 13/20 0.77
PIK3CA P42336 1/20 0.56
MAPK8 P45983 1/20 0.56
MAPK9 P45984 1/20 0.56
MAPK10 P53779 1/20 0.56
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
LTA4H P09960 1/20 0.45
MET P08581 1/20 0.43
ABL1 P00519 1/20 0.43
TUBB4A P04350 1/20 0.43
TUBB P07437 1/20 0.43
LYN P07948 1/20 0.43
TUBA3C P0DPH7 1/20 0.43
BCR P11274 1/20 0.43
SRC P12931 1/20 0.43
TUBA1B P68363 1/20 0.43
TUBA4A P68366 1/20 0.43
TUBB4B P68371 1/20 0.43
TUBB3 Q13509 1/20 0.43

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
SCHEMBL12982658 0.87 MAPK1 (1.00) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL17030269 0.81 MAPK1 (0.77) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL17030249 0.80 MAPK1 (0.67) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL17030287 0.77 MAPK1 (0.60) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL17030278 0.76 MAPK1 (0.59) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL17030265 0.75 MAPK1 (0.57) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL17030251 0.75 MAPK1 (0.59) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL12970769 0.72 MAPK1 (1.00) MAPK1
SCHEMBL12979934 0.72 MAPK1 (0.64) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL14506616 0.72 MAPK1 (1.00) 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