SCHEMBL27365053

SCHEMBL27365053

COc1cc(Cl)cc(C(=O)Nc2nc3ccc(C(F)(F)F)cc3s2)c1O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCS1 P62166 1/20 0.60
DYRK1A Q13627 1/20 0.57
CSNK1D P48730 11/20 0.57
DCLK1 O15075 1/20 0.56
FES P07332 1/20 0.56
PIM1 P11309 1/20 0.56
CDK2 P24941 1/20 0.56
GSK3A P49840 1/20 0.56
GSK3B P49841 1/20 0.56
IRAK1 P51617 1/20 0.56
MAP4K2 Q12851 1/20 0.56
NTRK3 Q16288 1/20 0.56
HIPK4 Q8NE63 1/20 0.56
AURKB Q96GD4 1/20 0.56
CLK4 Q9HAZ1 1/20 0.56
STK17A Q9UEE5 1/20 0.56
MAP4K5 Q9Y4K4 1/20 0.56
CSNK1G3 Q9Y6M4 1/20 0.56
KDM4E B2RXH2 1/20 0.55
GAA P10253 1/20 0.55

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
SCHEMBL17770327 0.88 KDM4E (0.69) NCS1DYRK1ACSNK1DDCLK1FES
SCHEMBL19612139 0.87 DYRK1A (0.60) NCS1DYRK1ACSNK1DACP1CYP2D6
SCHEMBL19612144 0.87 DYRK1A (0.60) DYRK1ACSNK1DACP1CYP2D6LRRK2
SCHEMBL19612167 0.85 DYRK1A (0.58) NCS1DYRK1ACSNK1DACP1CYP2D6
SCHEMBL19612122 0.85 DYRK1A (0.57) NCS1DYRK1ACSNK1DDCLK1FES
SCHEMBL19612097 0.85 DYRK1A (0.57) NCS1DYRK1ACSNK1DACP1CYP2D6
SCHEMBL30810362 0.84 DYRK1A (0.56) NCS1DYRK1ACSNK1DACP1CYP2D6
SCHEMBL27364347 0.84 CSNK1D (0.54) NCS1DYRK1ACSNK1DACP1CYP2D6
SCHEMBL19612088 0.83 CSNK1D (0.58) DYRK1ACSNK1DACP1CYP2D6LRRK2
SCHEMBL19612100 0.83 CSNK1D (0.51) NCS1DYRK1ACSNK1DACP1CYP2D6

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-2024054766-A2 MITOCHONDRIAL UNCOUPLERS FOR TREATMENT OF METABOLIC DISEASES AND CANCER MITO BIOPHARMA, LLC (US) 2024-03-14 WO disclosed