SCHEMBL25833402

SCHEMBL25833402

O=CNc1nc2ccc(-c3ccccc3)cc2s1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 2/20 0.63
ABL1 P00519 3/20 0.56
PIK3CA P42336 2/20 0.55
PI4KA P42356 1/20 0.55
PI4KB Q9UBF8 1/20 0.55
MAP4K4 O95819 2/20 0.52
PRKCG P05129 2/20 0.52
PRKACA P17612 2/20 0.52
RPS6KB1 P23443 2/20 0.52
AKT1 P31749 2/20 0.52
CSNK1D P48730 2/20 0.52
CLK2 P49760 2/20 0.52
IRAK1 P51617 2/20 0.52
PRKX P51817 2/20 0.52
NEK4 P51957 2/20 0.52
PRKCD Q05655 2/20 0.52
ROCK1 Q13464 2/20 0.52
DYRK1A Q13627 2/20 0.52
PKN2 Q16513 2/20 0.52
HIPK4 Q8NE63 2/20 0.52

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
SCHEMBL3711380 0.83 NPC1 (0.49) PIK3CGPIK3CAPI4KAPI4KBNPC1
SCHEMBL25834501 0.79 APP (0.48) PIK3CGABL1PIK3CALIPGMAPK1
SCHEMBL27311583 0.79 PIK3CG (0.67) PIK3CGABL1PIK3CAPI4KAPI4KB
SCHEMBL543954 0.79 IDO1 (0.59) CSNK1DDYRK1ANPC1MAPTRAB9A
SCHEMBL1651874 0.77 PIK3CG (1.00) PIK3CGABL1PIK3CADYRK1ANPC1
SCHEMBL25464674 0.77 RAB9A (0.60) CSNK1DDYRK1ANPC1MAPTRAB9A
SCHEMBL14189675 0.77 NPC1 (0.61) DYRK1ANPC1MAPTRAB9ASMN1; SMN2
SCHEMBL20887504 0.77 PIK3CG (0.39) PIK3CGABL1PIK3CAMAP4K4PRKCG
SCHEMBL22380314 0.76 ABL1 (0.66) ABL1MAPK14
SCHEMBL25493119 0.76 ABL1 (0.63) ABL1

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-2023131649-A1 BENZOTHIAZOLE ANAOLOGUES AND USE THEREOF AS BOOSTERS OF ANTI TUBERCULOSIS DRUGS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2023-07-13 WO disclosed