SCHEMBL21077161

SCHEMBL21077161

COc1cncc(-c2ccc(NC(=O)C(C)(C)c3csc(N[S+]([O-])C4CC4)n3)c(C)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CTPS1 P17812 15/20 0.47
▸ CTPS2 Q9NRF8 4/20 0.42
▸ PIK3CG P48736 3/20 0.38
▸ PIK3CA P42336 2/20 0.37
▸ GSK3B P49841 1/20 0.36
▸ DYRK1A Q13627 1/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35

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
SCHEMBL21076891 0.92 CTPS1 (0.57) CTPS1CTPS2PIK3CG
SCHEMBL21077013 0.89 CTPS1 (0.51) CTPS1CTPS2PIK3CGGSK3BDYRK1A
SCHEMBL21077133 0.89 CTPS1 (0.53) CTPS1CTPS2PIK3CG
SCHEMBL21077063 0.87 CTPS1 (0.49) CTPS1CTPS2PIK3CGGSK3BDYRK1A
SCHEMBL21077174 0.86 CTPS1 (0.44) CTPS1CTPS2PIK3CGPIK3CAGSK3B
SCHEMBL21076938 0.85 CTPS1 (0.47) CTPS1CTPS2
SCHEMBL21077074 0.84 CTPS1 (0.60) CTPS1CTPS2
SCHEMBL21077159 0.84 CTPS1 (0.49) CTPS1CTPS2
SCHEMBL21044235 0.84 CTPS1 (0.66) CTPS1CTPS2
SCHEMBL30528782 0.84 CTPS1 (0.66) 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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