SCHEMBL24832470

SCHEMBL24832470

CCOc1cncc(-c2ccc(NC(=O)C3(c4ccnc(N[S+]([O-])C5CC5)n4)CCOCC3)cc2)n1

nearest known ligand 0.60

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ CTPS1 P17812 20/20 0.60

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
SCHEMBL24832429 0.93 CTPS1 (0.70) CTPS1
SCHEMBL24832720 0.89 CTPS1 (0.56) CTPS1
SCHEMBL21381424 0.85 CTPS1 (0.74) CTPS1
SCHEMBL22758546 0.83 CTPS1 (0.62) CTPS1
SCHEMBL22758540 0.82 CTPS1 (0.60) CTPS1
SCHEMBL24832438 0.81 CTPS1 (0.58) CTPS1
SCHEMBL21373696 0.80 CTPS1 (0.78) CTPS1
SCHEMBL21387621 0.80 CTPS1 (0.58) CTPS1
SCHEMBL24832428 0.80 CTPS1 (0.77) CTPS1
SCHEMBL21373695 0.80 CTPS1 (0.77) 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