SCHEMBL21077122

SCHEMBL21077122

CC(C)(C(=O)Nc1ccc(-c2cnccn2)cc1F)c1csc(NSC2CC2)n1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CTPS1 P17812 19/20 0.58
▸ CTPS2 Q9NRF8 3/20 0.58
▸ ABL1 P00519 1/20 0.39

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
SCHEMBL30528770 0.85 CTPS1 (0.79) CTPS1CTPS2
SCHEMBL21044424 0.85 CTPS1 (0.79) CTPS1CTPS2
SCHEMBL21387616 0.75 CTPS1 (0.64) CTPS1CTPS2
SCHEMBL21077031 0.74 CTPS1 (0.49) CTPS1CTPS2
SCHEMBL21077103 0.74 CTPS1 (0.40) CTPS1CTPS2
SCHEMBL30528849 0.74 CTPS1 (1.00) CTPS1
SCHEMBL30528835 0.74 CTPS1 (1.00) CTPS1CTPS2
SCHEMBL21077194 0.74 CTPS1 (0.45) CTPS1CTPS2ABL1
SCHEMBL21076996 0.73 CTPS1 (0.53) CTPS1CTPS2
SCHEMBL21077028 0.73 CTPS1 (0.41) 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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