SCHEMBL22762584

SCHEMBL22762584

CCOc1cncc(-c2ccc(NC(=O)C(N)c3csc(NSC4CC4)n3)cc2)n1

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CTPS1 P17812 19/20 0.49
▸ LMNA P02545 1/20 0.35
▸ MAPK1 P28482 1/20 0.35

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
SCHEMBL22762580 0.90 CTPS1 (0.49) CTPS1
SCHEMBL22762519 0.88 CTPS1 (0.47) CTPS1
SCHEMBL22762474 0.88 CTPS1 (0.51) CTPS1
SCHEMBL22491730 0.86 CTPS1 (0.63) CTPS1
Hydrochloric Acid SCHEMBL29488951 0.85 CTPS1 (0.62) CTPS1
Hydrochloric Acid SCHEMBL29086285 0.85 CTPS1 (0.62) CTPS1
SCHEMBL21077016 0.79 CTPS1 (0.58) CTPS1
SCHEMBL24370263 0.78 CTPS1 (0.35) CTPS1
SCHEMBL21044097 0.77 CTPS1 (0.65) CTPS1
SCHEMBL21387602 0.76 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-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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