SCHEMBL3347831

SCHEMBL3347831

N#Cc1nc(Nc2cc(F)cc(F)c2)nc(NC2CCCC2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSS P25774 4/20 1.00
CTSK P43235 4/20 1.00
CTSV O60911 2/20 1.00
PLAT P00750 2/20 1.00
CTSL P07711 2/20 1.00
CTSH P09668 2/20 1.00
CASP14 P31944 2/20 1.00
CASP6 P55212 2/20 1.00
CTSZ Q9UBR2 2/20 1.00
CTSB P07858 1/20 1.00
CASP4 P49662 1/20 1.00
CASP5 P51878 1/20 1.00

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
SCHEMBL3346602 0.82 CTSV (0.70) CTSSCTSKCTSVPLATCTSL
SCHEMBL6241632 0.80 CTSS (0.68) CTSSCTSKCTSVPLATCTSL
SCHEMBL3346441 0.78 CTSS (0.75) CTSSCTSKCTSVPLATCTSL
SCHEMBL3348177 0.78 CTSS (0.75) CTSSCTSKCTSVPLATCTSL
SCHEMBL3350907 0.78 CTSS (1.00) CTSSCTSKCTSVPLATCTSL
SCHEMBL3346331 0.73 CTSL (0.98) CTSSCTSKCTSVPLATCTSL
SCHEMBL5031260 0.69 RAB9A (0.62) CTSSCTSKCTSVPLATCTSL
SCHEMBL27223950 0.68 MERTK (0.78)
SCHEMBL6238186 0.66 CTSS (0.62) CTSSCTSKCTSVPLATCTSL
SCHEMBL6235821 0.66 CTSS (0.81) CTSSCTSKCTSVPLATCTSL

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010059418-A1 SUBSTITUTED TRIAZINE AND PURINE COMPOUNDS, METHODS OF INHIBITING CRUZAIN AND RHODESAIN AND METHODS OF TREATING CHAGAS DISEASE AND AFRICAN TRYPANOSOMIASIS THE GOVERNMENT OF THE U.S.A. AS REPRESENTED BY THE SECRETARY OF THE DEPT. OF HEALTH & HUMAN SERVICES (US) 2010-05-27 WO disclosed
WO-2010059418-A1 SUBSTITUTED TRIAZINE AND PURINE COMPOUNDS, METHODS OF INHIBITING CRUZAIN AND RHODESAIN AND METHODS OF TREATING CHAGAS DISEASE AND AFRICAN TRYPANOSOMIASIS THE GOVERNMENT OF THE U.S.A. AS REPRESENTED BY THE SECRETARY OF THE DEPT. OF HEALTH & HUMAN SERVICES (US) 2010-05-27 WO disclosed