SCHEMBL21076901

SCHEMBL21076901

CC(C)(C(=O)Nc1ncc(-c2cncc(C#N)c2)cn1)c1csc(N[S+]([O-])C2CC2)n1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CTPS1 P17812 13/20 0.45
▸ CTPS2 Q9NRF8 4/20 0.38
▸ GSK3B P49841 1/20 0.36
▸ DYRK1A Q13627 1/20 0.36
▸ PIK3CG P48736 1/20 0.35
▸ PIK3CA P42336 1/20 0.32
▸ ATAD2 Q6PL18 1/20 0.32
▸ GPR119 Q8TDV5 1/20 0.32
▸ KCNH2 Q12809 1/20 0.31
▸ HRH3 Q9Y5N1 1/20 0.31

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
SCHEMBL21077151 0.90 CTPS1 (0.48) CTPS1CTPS2GSK3BDYRK1APIK3CG
SCHEMBL21077061 0.89 CTPS1 (0.43) CTPS1CTPS2GSK3BDYRK1APIK3CG
SCHEMBL21077179 0.88 CTPS1 (0.41) CTPS1CTPS2GSK3BDYRK1APIK3CG
SCHEMBL21076973 0.86 CTPS1 (0.52) CTPS1CTPS2
SCHEMBL21077174 0.86 CTPS1 (0.44) CTPS1CTPS2GSK3BDYRK1APIK3CG
SCHEMBL21076967 0.85 CTPS1 (0.56) CTPS1CTPS2GSK3BDYRK1APIK3CG
SCHEMBL21077212 0.84 CTPS1 (0.44) CTPS1CTPS2PIK3CG
SCHEMBL21044434 0.83 CTPS1 (0.60) CTPS1CTPS2
SCHEMBL21076975 0.81 CTPS1 (0.39) CTPS1CTPS2GSK3BDYRK1APIK3CG
SCHEMBL21077203 0.77 CTPS1 (0.51) CTPS1CTPS2ATAD2

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
EP-3492454-A1 COMPOUNDS Step Pharma S.A.S. (FR) 2019-06-05 — — EP disclosed
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