SCHEMBL3353019

SCHEMBL3353019

CCNc1nc(C#N)nc2c1ncn2-c1cc(F)cc(F)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSL P07711 15/20 1.00
CTSS P25774 3/20 1.00
CTSC P53634 3/20 1.00
CTSZ Q9UBR2 3/20 1.00
CTSV O60911 2/20 1.00
CTSH P09668 2/20 1.00
CTSK P43235 2/20 1.00
CASP1 P29466 2/20 1.00
KLK4 Q9Y5K2 2/20 0.57
CTSB P07858 1/20 0.57
CASP4 P49662 1/20 0.57
MMP14 P50281 1/20 0.57
BACE1 P56817 1/20 0.57
ADAM17 P78536 1/20 0.57
NPC1 O15118 1/20 0.51
ELANE P08246 1/20 0.51
CMA1 P23946 1/20 0.51
RAB9A P51151 1/20 0.51

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
SCHEMBL3350703 0.83 CTSV (0.71) CTSLCTSSCTSCCTSZCTSV
SCHEMBL13363712 0.83 CTSV (0.71) CTSLCTSSCTSCCTSZCTSV
SCHEMBL4847855 0.81 CTSL (0.68) CTSLCTSSCTSCCTSZCTSV
SCHEMBL3346407 0.68 CTSL (1.00) CTSLCTSSCTSCCTSZCTSV
SCHEMBL5441670 0.65 CTSL (0.50) CTSLCTSSCTSCCTSZCTSV
SCHEMBL4848081 0.64 CTSL (0.48) CTSLCTSSCTSCCTSZCTSV
SCHEMBL3350716 0.63 CTSV (0.45) CTSLCTSSCTSCCTSZCTSV
SCHEMBL3441067 0.62 CCNE2 (0.58) CTSLCTSSCTSCCTSZCTSV
SCHEMBL31061476 0.61 CTSL (1.00) CTSLCTSB
SCHEMBL4849083 0.60 CTSL (0.45) CTSLCTSSCTSCCTSZCTSV

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-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