SCHEMBL22758464

SCHEMBL22758464

COC(=O)C1(c2ccnc(NS(=O)(=O)C3CC3)n2)CCS(=O)(=O)CC1

nearest known ligand 0.49

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ CTPS1 P17812 20/20 0.49

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
SCHEMBL21373873 0.91 CTPS1 (0.50) CTPS1
SCHEMBL21373839 0.91 CTPS1 (0.49) CTPS1
SCHEMBL22758466 0.89 CTPS1 (0.48) CTPS1
SCHEMBL21392181 0.87 CTPS1 (0.48) CTPS1
SCHEMBL22762263 0.86 CTPS1 (0.48) CTPS1
SCHEMBL24849329 0.84 CTPS1 (0.44) CTPS1
SCHEMBL22762262 0.80 CTPS1 (0.43) CTPS1
SCHEMBL21392143 0.80 CTPS1 (0.62) CTPS1
SCHEMBL22758542 0.78 CTPS1 (0.33) CTPS1
SCHEMBL21392322 0.77 CTPS1 (0.61) 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-2020245664-A1 N-(5-(6-ETHOXYPYRAZIN-2-YL)PYRIDIN-2-YL)-4-(2-(METHYLSULFONAMIDO)PYRIMIDIN-4-YL) TETRAHYDRO-2H-PYRAN-4-CARBOXAMIDE 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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