SCHEMBL21077013

SCHEMBL21077013

Cc1cc(-c2cncc(F)c2)ccc1NC(=O)C(C)(C)c1csc(N[S+]([O-])C2CC2)n1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CTPS1 P17812 15/20 0.51
▸ CTPS2 Q9NRF8 4/20 0.46
▸ PIK3CG P48736 1/20 0.36
▸ ABL1 P00519 1/20 0.36
▸ GSK3B P49841 2/20 0.35
▸ DYRK1A Q13627 2/20 0.35
▸ MAPK13 O15264 1/20 0.34
▸ MAPK12 P53778 1/20 0.34
▸ MAPK11 Q15759 1/20 0.34
▸ MAPK14 Q16539 1/20 0.34

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 0.93 CTPS1 (0.59) CTPS1CTPS2PIK3CGABL1
SCHEMBL21077161 0.89 CTPS1 (0.47) CTPS1CTPS2PIK3CGGSK3BDYRK1A
SCHEMBL21076924 0.89 CTPS1 (0.53) CTPS1CTPS2
SCHEMBL21076932 0.86 CTPS1 (0.52) CTPS1CTPS2ABL1GSK3BDYRK1A
SCHEMBL21077171 0.85 CTPS1 (0.58) CTPS1CTPS2
SCHEMBL21077159 0.85 CTPS1 (0.49) CTPS1CTPS2ABL1
SCHEMBL21077036 0.84 CTPS1 (0.72) CTPS1CTPS2
SCHEMBL21076891 0.84 CTPS1 (0.57) CTPS1CTPS2PIK3CG
SCHEMBL21044134 0.83 CTPS1 (0.73) CTPS1CTPS2
SCHEMBL30528977 0.83 CTPS1 (0.73) 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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