SCHEMBL21387632

SCHEMBL21387632

CCC(C(=O)Nc1ccc(-c2cncc(OC(C)C)c2)cc1)c1ccnc(N[S+]([O-])C2CC2)n1

nearest known ligand 0.72

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ CTPS1 P17812 20/20 0.72

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
SCHEMBL21387660 0.89 CTPS1 (0.73) CTPS1
SCHEMBL21387676 0.85 CTPS1 (0.72) CTPS1
SCHEMBL21373745 0.84 CTPS1 (1.00) CTPS1
SCHEMBL21387734 0.82 CTPS1 (0.70) CTPS1
SCHEMBL21387701 0.79 CTPS1 (0.75) CTPS1
SCHEMBL21387619 0.79 CTPS1 (0.58) CTPS1
SCHEMBL21076879 0.78 CTPS1 (0.48) CTPS1
SCHEMBL21076942 0.78 CTPS1 (0.48) CTPS1
SCHEMBL21387710 0.77 CTPS1 (0.73) CTPS1
SCHEMBL29228046 0.76 CTPS1 (0.85) 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-3543232-A1 AMINOPYRIMIDINE DERIVATIVES AS CTPS1 INHIBITORS Step Pharma S.A.S. (FR) 2019-09-25 — — EP disclosed
Send feedback