SCHEMBL25036618

SCHEMBL25036618

CC(C)(C)n1c(=O)[nH]c2ccc(Br)cc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK2 P49760 2/20 0.46
DYRK1A Q13627 2/20 0.46
CLK4 Q9HAZ1 2/20 0.46
AKT2 P31751 1/20 0.46
OPRM1 P35372 3/20 0.43
HAVCR2 Q8TDQ0 1/20 0.41
DAO P14920 3/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
AURKA O14965 2/20 0.40
B3GNT2 Q9NY97 2/20 0.38
CHEK1 O14757 1/20 0.37
DAPK3 O43293 1/20 0.37
JAK2 O60674 1/20 0.37
PRKD3 O94806 1/20 0.37
MAP4K4 O95819 1/20 0.37
PAK4 O96013 1/20 0.37
ABL1 P00519 1/20 0.37
NTRK1 P04629 1/20 0.37
CSF1R P07333 1/20 0.37

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
SCHEMBL22716907 0.82 HAVCR2 (0.48) CLK2DYRK1ACLK4HAVCR2LMNA
SCHEMBL16997508 0.81 DAO (0.62) DAOHPGDAURKAB3GNT2
SCHEMBL31189202 0.80 METAP2 (0.42) HAVCR2LMNAHPGDAURKACDK9
SCHEMBL22716853 0.80 METAP2 (0.42) HAVCR2LMNAHPGDAURKACDK9
SCHEMBL4957725 0.80 AKT2 (0.41) CLK2DYRK1ACLK4AKT2OPRM1
SCHEMBL16997516 0.79 DAO (0.60) DAOLMNAAURKA
SCHEMBL1519715 0.79 LMNA (0.56) CLK2DYRK1ACLK4AKT2OPRM1
SCHEMBL29414385 0.79 LMNA (0.56) CLK2DYRK1ACLK4AKT2OPRM1
SCHEMBL16997512 0.77 PDE3B (0.45) HAVCR2HPGDMAPT
SCHEMBL24116887 0.75 AKT2 (0.43) CLK2DYRK1ACLK4AKT2OPRM1

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-2023019166-A1 PROTEIN TYROSINE PHOSPHATASE TARGETING LIGANDS CALICO LIFE SCIENCES LLC (US) 2023-02-16 WO disclosed