SCHEMBL23845540

SCHEMBL23845540

Nc1ccc(-n2cc(-c3ccccc3)cn2)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 9/20 0.41
HTR2B P41595 1/20 0.41
MTNR1A P48039 1/20 0.41
KCNH2 Q12809 1/20 0.41
MAP4K4 O95819 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
PAK4 O96013 1/20 0.39
CSF1R P07333 1/20 0.39
RET P07949 1/20 0.39
GRK5 P34947 1/20 0.39
MAPK8 P45983 1/20 0.39
CSNK1A1 P48729 1/20 0.39
ACVR1 Q04771 1/20 0.39
PTK2 Q05397 1/20 0.39
TYRO3 Q06418 1/20 0.39
MAP4K2 Q12851 1/20 0.39
DYRK1A Q13627 1/20 0.39
IKBKE Q14164 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
DYRK1B Q9Y463 1/20 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
SCHEMBL513941 0.81 GAA (0.52) GRM4HTR2BMTNR1AKCNH2MAP4K4
SCHEMBL23833610 0.81 GRM4 (0.41) GRM4HTR2BMTNR1AKCNH2MAP4K4
SCHEMBL30094480 0.81 GRM4 (0.41) GRM4HTR2BMTNR1AKCNH2MAP4K4
SCHEMBL30094669 0.80 GRM4 (0.39) GRM4HTR2BMTNR1AKCNH2MAP4K4
SCHEMBL23833577 0.80 GRM4 (0.39) GRM4HTR2BMTNR1AKCNH2MAP4K4
SCHEMBL515503 0.79 GAA (0.59) GRM4HTR2BMTNR1AKCNH2L3MBTL1
SCHEMBL17736002 0.77 GAA (0.57) GRM4HTR2BMTNR1AKCNH2MAP4K4
SCHEMBL23144559 0.75 MAOA (0.55) MAP4K4MELKMAPKAPK2
SCHEMBL1129152 0.75 ALDH1A1 (0.48) GRM4HTR2BMTNR1AKCNH2MAP4K4
SCHEMBL18999306 0.72 GRM4 (0.50) GRM4HTR2BMTNR1AKCNH2MAP4K4

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
WO-2021188938-A1 PHD INHIBITOR COMPOUNDS, COMPOSITIONS, AND USE AKEBIA THERAPEUTICS, INC. (US) 2021-09-23 WO disclosed