SCHEMBL21387640

SCHEMBL21387640

CC(C)(C=O)c1ccnc(NS(=O)(=O)C2CC2)n1

nearest known ligand 0.52

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CTPS1 P17812 20/20 0.52

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
SCHEMBL21392095 0.82 CTPS1 (0.50) CTPS1
SCHEMBL21387637 0.82 MAPK1 (0.45) CTPS1
Hydrochloric Acid SCHEMBL21384760 0.81 CTPS1 (0.49) CTPS1
SCHEMBL21387725 0.80 CTPS1 (0.44) CTPS1
SCHEMBL21373761 0.79 CTPS1 (0.59) CTPS1
SCHEMBL21387680 0.78 CTPS1 (0.46) CTPS1
SCHEMBL21392145 0.76 CTPS1 (0.49) CTPS1
SCHEMBL30882863 0.76 CTPS1 (0.49) CTPS1
SCHEMBL28483164 0.76 CTPS1 (0.49) CTPS1
SCHEMBL21387600 0.76 CTPS1 (0.31) 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