SCHEMBL24832428

SCHEMBL24832428

CCOc1cncc(-c2ccc(NC(=O)C3(c4ccnc(N[S+]([O-])C5CC5)n4)CCN(C(=O)OC(C)(C)C)CC3)nc2)n1

nearest known ligand 0.77

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CTPS1 P17812 18/20 0.77
▸ WNT3A P56704 2/20 0.40

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
SCHEMBL22758546 0.91 CTPS1 (0.62) CTPS1
SCHEMBL22758540 0.89 CTPS1 (0.60) CTPS1
SCHEMBL24832429 0.87 CTPS1 (0.70) CTPS1
SCHEMBL21381539 0.87 CTPS1 (1.00) CTPS1
SCHEMBL30518343 0.87 CTPS1 (1.00) CTPS1
SCHEMBL21381414 0.86 CTPS1 (1.00) CTPS1
SCHEMBL30591212 0.86 CTPS1 (1.00) CTPS1
SCHEMBL30882875 0.86 CTPS1 (1.00) CTPS1
SCHEMBL24832470 0.80 CTPS1 (0.60) CTPS1
SCHEMBL21381550 0.80 CTPS1 (1.00) 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
EP-3870574-B1 AMINOPYRIMIDINE/PYRAZINE DERIVATIVES AS CTPS1 INHIBITORS STEP PHARMA S A S (FR) 2023-01-04 — — EP disclosed
Send feedback