SCHEMBL31152522

SCHEMBL31152522

CCC(CC)(C(=O)Nc1ccc(-c2cnccn2)cn1)c1csc(NS(=O)(=O)C2CC2)n1

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CTPS1 P17812 20/20 0.64
▸ CTPS2 Q9NRF8 4/20 0.64

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
SCHEMBL21044101 1.00 CTPS1 (0.64) CTPS1CTPS2
SCHEMBL32663034 0.91 CTPS1 (0.65) CTPS1CTPS2
SCHEMBL21044172 0.91 CTPS1 (0.65) CTPS1CTPS2
SCHEMBL21044207 0.91 CTPS1 (0.62) CTPS1CTPS2
SCHEMBL21044070 0.90 CTPS1 (0.78) CTPS1CTPS2
SCHEMBL30528731 0.90 CTPS1 (0.78) CTPS1CTPS2
SCHEMBL30528863 0.89 CTPS1 (0.81) CTPS1CTPS2
SCHEMBL21044002 0.89 CTPS1 (0.81) CTPS1CTPS2
SCHEMBL21044026 0.84 CTPS1 (0.65) CTPS1CTPS2
SCHEMBL30528966 0.84 CTPS1 (0.65) CTPS1CTPS2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3717459-B1 COMPOUNDS STEP PHARMA S A S (FR) 2026-01-21 — — EP claimed
CN-118804752-A Combination of CTPS1 and BCL2 inhibitors for the treatment of cancer 斯泰普制药股份公司 2024-10-18 — — CN disclosed
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