SCHEMBL21077179

SCHEMBL21077179

Cc1cc(-c2cncc(C#N)c2)cc(C)c1NC(=O)C(C)(C)c1csc(N[S+]([O-])C2CC2)n1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CTPS1 P17812 10/20 0.41
▸ CTPS2 Q9NRF8 4/20 0.37
▸ PIK3CG P48736 1/20 0.35
▸ GSK3B P49841 1/20 0.34
▸ DYRK1A Q13627 1/20 0.34
▸ PIK3CA P42336 1/20 0.32
▸ GPR119 Q8TDV5 1/20 0.31
▸ ATAD2 Q6PL18 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ POLQ O75417 1/20 0.30
▸ CYP11B2 P19099 1/20 0.30

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 0.88 CTPS1 (0.45) CTPS1CTPS2PIK3CGGSK3BDYRK1A
SCHEMBL21077212 0.87 CTPS1 (0.44) CTPS1CTPS2PIK3CGPOLQ
SCHEMBL21077151 0.86 CTPS1 (0.48) CTPS1CTPS2PIK3CGGSK3BDYRK1A
SCHEMBL21077061 0.85 CTPS1 (0.43) CTPS1CTPS2PIK3CGGSK3BDYRK1A
SCHEMBL21076967 0.85 CTPS1 (0.56) CTPS1CTPS2PIK3CGGSK3BDYRK1A
SCHEMBL21044355 0.83 CTPS1 (0.56) CTPS1CTPS2
SCHEMBL21076975 0.80 CTPS1 (0.39) CTPS1CTPS2PIK3CGGSK3BDYRK1A
SCHEMBL21077013 0.78 CTPS1 (0.51) CTPS1CTPS2PIK3CGGSK3BDYRK1A
SCHEMBL21076872 0.78 CTPS1 (0.52) CTPS1CTPS2
SCHEMBL21077040 0.77 CTPS1 (0.53) CTPS1CTPS2KDM4E

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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