SCHEMBL21076967

SCHEMBL21076967

CC(C)(C(=O)Nc1ccc(-c2cncc(C#N)c2)cc1F)c1csc(N[S+]([O-])C2CC2)n1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CTPS1 P17812 15/20 0.56
▸ CTPS2 Q9NRF8 3/20 0.51
▸ PIK3CG P48736 1/20 0.38
▸ GSK3B P49841 1/20 0.37
▸ DYRK1A Q13627 1/20 0.37
▸ CYP11B2 P19099 3/20 0.36
▸ CYP11B1 P15538 2/20 0.36

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
SCHEMBL21077149 0.90 CTPS1 (0.59) CTPS1CTPS2PIK3CG
SCHEMBL21077061 0.89 CTPS1 (0.43) CTPS1CTPS2PIK3CGGSK3BDYRK1A
SCHEMBL21077171 0.89 CTPS1 (0.58) CTPS1CTPS2
SCHEMBL21077036 0.88 CTPS1 (0.72) CTPS1CTPS2
SCHEMBL21076891 0.87 CTPS1 (0.57) CTPS1CTPS2PIK3CG
SCHEMBL21077151 0.86 CTPS1 (0.48) CTPS1CTPS2PIK3CGGSK3BDYRK1A
SCHEMBL21076901 0.85 CTPS1 (0.45) CTPS1CTPS2PIK3CGGSK3BDYRK1A
SCHEMBL21076976 0.85 CTPS1 (0.55) CTPS1CTPS2PIK3CG
SCHEMBL21076922 0.85 CTPS1 (0.57) CTPS1CTPS2GSK3BCYP11B2CYP11B1
SCHEMBL21076920 0.85 CTPS1 (0.55) 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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