SCHEMBL29856428

SCHEMBL29856428

Cn1cc(C(=O)c2cc(Br)c(O)c(Br)c2)c2ccncc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.46
POLB P06746 1/20 0.44
DYRK1A Q13627 2/20 0.42
NFATC1 O95644 1/20 0.42
GSK3B P49841 1/20 0.42
SLC22A12 Q96S37 2/20 0.40
SLC22A6 Q4U2R8 1/20 0.40
SLC22A8 Q8TCC7 1/20 0.40
CNR2 P34972 2/20 0.38
CNR1 P21554 1/20 0.38
S1PR1 P21453 1/20 0.37
S1PR3 Q99500 1/20 0.37
ADORA3 P0DMS8 2/20 0.37
ADORA2A P29274 2/20 0.37
NR4A2 P43354 2/20 0.37
CYP2C19 P33261 1/20 0.36
ADORA1 P30542 1/20 0.35
DYRK1B Q9Y463 1/20 0.35
PDPK1 O15530 1/20 0.34
TGFBR1 P36897 1/20 0.34

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
SCHEMBL29856369 0.85 SLC22A12 (0.48) NTRK1POLBDYRK1ANFATC1GSK3B
SCHEMBL29856145 0.82 POLB (0.51) NTRK1POLBDYRK1ANFATC1GSK3B
SCHEMBL29856228 0.79 ADORA3 (0.46) POLBSLC22A12SLC22A6SLC22A8ADORA3
SCHEMBL29856185 0.77 DYRK1A (0.51) NTRK1DYRK1AGSK3BSLC22A12SLC22A6
SCHEMBL29856320 0.76 POLB (0.48) NTRK1POLBDYRK1ANFATC1GSK3B
SCHEMBL12486373 0.75 DYRK1A (0.53) NTRK1POLBDYRK1ANFATC1GSK3B
SCHEMBL29856173 0.75 ADORA3 (0.40) POLBSLC22A12SLC22A6SLC22A8ADORA3
SCHEMBL29856212 0.75 ADORA3 (0.40) POLBSLC22A12SLC22A6SLC22A8ADORA3
SCHEMBL29856189 0.75 SLC22A12 (0.42) POLBSLC22A12SLC22A6SLC22A8ADORA3
SCHEMBL22558992 0.74 DYRK1A (0.51) NTRK1POLBDYRK1ANFATC1GSK3B

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-2022169974-A1 INHIBITORS OF URAT1 AND PHARMACEUTICAL USES THEREOF NEXYS THERAPEUTICS, INC. (US) 2022-08-11 WO disclosed