SCHEMBL21077061

SCHEMBL21077061

CC(C)(C(=O)Nc1ncc(-c2cncc(C#N)c2)cc1F)c1csc(N[S+]([O-])C2CC2)n1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CTPS1 P17812 12/20 0.43
▸ CTPS2 Q9NRF8 4/20 0.40
▸ PIK3CA P42336 1/20 0.36
▸ GSK3B P49841 1/20 0.34
▸ DYRK1A Q13627 1/20 0.34
▸ CYP11B2 P19099 2/20 0.34
▸ PIK3CG P48736 1/20 0.34
▸ PIM1 P11309 1/20 0.31
▸ CYP11B1 P15538 1/20 0.31
▸ ABL1 P00519 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
SCHEMBL21076901 0.89 CTPS1 (0.45) CTPS1CTPS2PIK3CAGSK3BDYRK1A
SCHEMBL21076967 0.89 CTPS1 (0.56) CTPS1CTPS2GSK3BDYRK1ACYP11B2
SCHEMBL21077070 0.88 CTPS1 (0.44) CTPS1CTPS2
SCHEMBL21077155 0.88 CTPS1 (0.43) CTPS1CTPS2CYP11B2CYP11B1
SCHEMBL21077151 0.87 CTPS1 (0.48) CTPS1CTPS2GSK3BDYRK1APIK3CG
SCHEMBL21077003 0.86 CTPS1 (0.56) CTPS1CTPS2
SCHEMBL21077179 0.85 CTPS1 (0.41) CTPS1CTPS2PIK3CAGSK3BDYRK1A
SCHEMBL21076892 0.84 CTPS1 (0.55) CTPS1CTPS2
SCHEMBL21044384 0.84 CTPS1 (0.61) CTPS1CTPS2
SCHEMBL21077212 0.82 CTPS1 (0.44) CTPS1CTPS2PIK3CGABL1

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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