SCHEMBL22762662

SCHEMBL22762662

CCOc1cncc(-c2ccc(NC(=O)C3(c4cncc(NS(=O)(=O)C5CC5)n4)CCN(C(=O)OC(C)(C)C)CC3)nc2)n1

nearest known ligand 0.83

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ CTPS1 P17812 20/20 0.83

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
SCHEMBL21381539 0.91 CTPS1 (1.00) CTPS1
SCHEMBL30518343 0.91 CTPS1 (1.00) CTPS1
SCHEMBL22758469 0.90 CTPS1 (0.80) CTPS1
SCHEMBL22749225 0.89 CTPS1 (0.66) CTPS1
SCHEMBL29566153 0.89 CTPS1 (0.66) CTPS1
SCHEMBL29368488 0.88 CTPS1 (0.71) CTPS1
SCHEMBL22758474 0.88 CTPS1 (0.71) CTPS1
SCHEMBL30518355 0.86 CTPS1 (0.69) CTPS1
SCHEMBL21381410 0.86 CTPS1 (0.69) CTPS1
SCHEMBL22762579 0.85 CTPS1 (0.81) 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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