SCHEMBL21077151

SCHEMBL21077151

CC(C)(C(=O)Nc1ccc(-c2cncc(C#N)c2)cn1)c1csc(N[S+]([O-])C2CC2)n1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CTPS1 P17812 18/20 0.48
▸ CTPS2 Q9NRF8 4/20 0.48
▸ GSK3B P49841 1/20 0.41
▸ DYRK1A Q13627 1/20 0.41
▸ PIK3CG P48736 1/20 0.38

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
SCHEMBL21076901 0.90 CTPS1 (0.45) CTPS1CTPS2GSK3BDYRK1APIK3CG
SCHEMBL21076941 0.88 CTPS1 (0.50) CTPS1CTPS2
SCHEMBL21076932 0.88 CTPS1 (0.52) CTPS1CTPS2GSK3BDYRK1A
SCHEMBL21077203 0.87 CTPS1 (0.51) CTPS1CTPS2
SCHEMBL21077061 0.87 CTPS1 (0.43) CTPS1CTPS2GSK3BDYRK1APIK3CG
SCHEMBL21077063 0.87 CTPS1 (0.49) CTPS1CTPS2GSK3BDYRK1APIK3CG
SCHEMBL21076967 0.86 CTPS1 (0.56) CTPS1CTPS2GSK3BDYRK1APIK3CG
SCHEMBL21077179 0.86 CTPS1 (0.41) CTPS1CTPS2GSK3BDYRK1APIK3CG
SCHEMBL21077093 0.86 CTPS1 (0.55) CTPS1CTPS2GSK3BDYRK1A
SCHEMBL21076968 0.84 CTPS1 (0.48) CTPS1CTPS2

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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