SCHEMBL21077194

SCHEMBL21077194

CC(C)(C(=O)Nc1ncc(-c2cncc(F)c2)cn1)c1csc(NSC2CC2)n1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CTPS1 P17812 14/20 0.45
▸ CTPS2 Q9NRF8 4/20 0.43
▸ ABL1 P00519 1/20 0.38
▸ GSK3B P49841 3/20 0.36
▸ DYRK1A Q13627 3/20 0.36
▸ ATAD2 Q6PL18 1/20 0.34
▸ PIK3CG P48736 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
SCHEMBL21044468 0.84 CTPS1 (0.63) CTPS1CTPS2
SCHEMBL21077116 0.77 CTPS1 (0.58) CTPS1CTPS2
SCHEMBL21077029 0.76 CTPS1 (0.41) CTPS1CTPS2ABL1ATAD2
SCHEMBL21077121 0.76 CTPS1 (0.53) CTPS1CTPS2
SCHEMBL22762521 0.76 CTPS1 (0.55) CTPS1CTPS2GSK3BDYRK1APIK3CG
SCHEMBL21077197 0.75 CTPS1 (0.58) CTPS1CTPS2PIK3CG
SCHEMBL21077103 0.75 CTPS1 (0.40) CTPS1CTPS2ATAD2
SCHEMBL30528868 0.74 CTPS1 (0.65) CTPS1CTPS2
SCHEMBL21077031 0.74 CTPS1 (0.49) CTPS1CTPS2GSK3BDYRK1APIK3CG
SCHEMBL30528729 0.74 CTPS1 (0.74) 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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