SCHEMBL22762453

SCHEMBL22762453

CC(C)c1cncc(-c2ccc(NC(=O)C(C)(C)c3ccnc(NSC4CC4)n3)nc2)n1

nearest known ligand 0.74

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CTPS1 P17812 20/20 0.74
▸ CTPS2 Q9NRF8 1/20 0.45

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
SCHEMBL21387663 0.88 CTPS1 (0.59) CTPS1
SCHEMBL29565845 0.85 CTPS1 (1.00) CTPS1
SCHEMBL21387730 0.85 CTPS1 (0.73) CTPS1
SCHEMBL21381453 0.85 CTPS1 (1.00) CTPS1
SCHEMBL21387683 0.83 CTPS1 (0.74) CTPS1
SCHEMBL21387643 0.79 CTPS1 (0.75) CTPS1
SCHEMBL21387609 0.79 CTPS1 (0.71) CTPS1
SCHEMBL21387653 0.78 CTPS1 (0.60) CTPS1
SCHEMBL21387608 0.77 CTPS1 (0.71) CTPS1
SCHEMBL21387661 0.77 CTPS1 (0.71) 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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