SCHEMBL22762566

SCHEMBL22762566

CC(C)(C(=O)Nc1ccc(-c2cncc(C#N)c2)cc1)c1ccnc(NS(=O)(=O)C2C3CC32)n1

nearest known ligand 0.82

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ CTPS1 P17812 20/20 0.82

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
SCHEMBL21373769 0.90 CTPS1 (1.00) CTPS1
SCHEMBL21373833 0.80 CTPS1 (1.00) CTPS1
SCHEMBL21373729 0.78 CTPS1 (1.00) CTPS1
SCHEMBL21373697 0.78 CTPS1 (1.00) CTPS1
SCHEMBL21373686 0.78 CTPS1 (1.00) CTPS1
SCHEMBL21373805 0.76 CTPS1 (1.00) CTPS1
SCHEMBL21373796 0.76 CTPS1 (1.00) CTPS1
SCHEMBL21373778 0.76 CTPS1 (1.00) CTPS1
SCHEMBL21373681 0.75 CTPS1 (1.00) CTPS1
SCHEMBL21373720 0.75 CTPS1 (1.00) 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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