SCHEMBL22758537

SCHEMBL22758537

CC1(c2ccnc(NS(=O)(=O)C3CC3)n2)CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ CTPS1 P17812 20/20 0.46

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
SCHEMBL22758486 0.96 CTPS1 (0.45) CTPS1
SCHEMBL22758519 0.89 CTPS1 (0.50) CTPS1
SCHEMBL21387613 0.81 CTPS1 (0.44) CTPS1
SCHEMBL21392166 0.80 CTPS1 (0.44) CTPS1
SCHEMBL21373873 0.80 CTPS1 (0.50) CTPS1
Hydrochloric Acid SCHEMBL21384603 0.79 CTPS1 (0.43) CTPS1
SCHEMBL22758466 0.77 CTPS1 (0.48) CTPS1
SCHEMBL21373839 0.77 CTPS1 (0.49) CTPS1
SCHEMBL25293825 0.75 CTPS1 (0.51) CTPS1
SCHEMBL28475039 0.73 CTPS1 (0.44) 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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