SCHEMBL22762487

SCHEMBL22762487

CCOc1cncc(-c2ccc(NC(=O)C3(c4ccnc(NS(=O)(=O)CC)n4)CCNCC3)nc2)n1

nearest known ligand 0.88

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ CTPS1 P17812 20/20 0.88

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
Hydrochloric Acid SCHEMBL29565809 0.99 CTPS1 (0.87) CTPS1
SCHEMBL21381587 0.94 CTPS1 (1.00) CTPS1
SCHEMBL21385181 0.91 CTPS1 (1.00) CTPS1
SCHEMBL30529048 0.91 CTPS1 (1.00) CTPS1
SCHEMBL22749250 0.91 CTPS1 (0.84) CTPS1
SCHEMBL30529005 0.89 CTPS1 (0.71) CTPS1
SCHEMBL30528973 0.89 CTPS1 (0.72) CTPS1
SCHEMBL30528897 0.87 CTPS1 (0.73) CTPS1
SCHEMBL22749403 0.86 CTPS1 (0.87) CTPS1
SCHEMBL29566004 0.86 CTPS1 (0.70) CTPS1

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
WO-2020245665-A1 N-(4-(5-CHLOROPYRIDIN-3-YL)PHENYL)-2-(2-(CYCLOPROPANESULFONAMIDO)PYRIMIDIN-4-YL) BUTANAMIDE DERIVATIVES AND RELATED COMPOUNDS AS HUMAN CTPS1 INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISEASES STEP PHARMA S.A.S. (FR) 2020-12-10 — — WO disclosed
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