SCHEMBL17685245

SCHEMBL17685245

NC(=O)c1cc(-c2ccc(NCC3(c4ncccc4F)CC(F)C3)nn2)ccc1F

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.48
ROCK2 O75116 2/20 0.34
SLC6A9 P48067 9/20 0.33
CASP1 P29466 1/20 0.33
GSK3B P49841 1/20 0.32
PDE10A Q9Y233 1/20 0.32
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
PARP1 P09874 1/20 0.31
ATM Q13315 1/20 0.31
KAT6A Q92794 1/20 0.31
MTOR P42345 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
SCHEMBL14998315 0.93 KCNH2 (0.47) KCNH2ROCK2SLC6A9CASP1GSK3B
SCHEMBL2562548 0.93 KCNH2 (0.47) KCNH2ROCK2SLC6A9CASP1GSK3B
SCHEMBL16524257 0.92 KCNH2 (0.43) KCNH2SLC6A9KAT6A
SCHEMBL14998262 0.92 KCNH2 (0.43) KCNH2SLC6A9KAT6A
SCHEMBL14998436 0.90 KCNH2 (0.45) KCNH2ROCK2GSK3BMAPTHTT
SCHEMBL16524171 0.90 KCNH2 (0.45) KCNH2ROCK2GSK3BMAPTHTT
SCHEMBL14998268 0.90 KCNH2 (0.41) KCNH2SLC6A9KAT6AMTOR
SCHEMBL18470535 0.90 KCNH2 (0.60) KCNH2SLC6A9CASP1MAPTHTT
SCHEMBL14734717 0.90 KCNH2 (0.51) KCNH2GSK3BMAPT
SCHEMBL14998231 0.90 KCNH2 (0.51) KCNH2GSK3BMAPT

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-2563365-B1 CERTAIN AMINO-PYRIDAZINES, COMPOSITIONS THEREOF, AND METHODS OF THEIR USE CYTOKINETICS INC (US) 2016-04-20 EP claimed