SCHEMBL21392097

SCHEMBL21392097

CC(C)(NC(=O)CCl)c1cncc(NSN(O)C2CC2)n1

nearest known ligand 0.36

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CTPS1 P17812 1/20 0.36

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
SCHEMBL21392345 0.83 CTPS1 (0.37) CTPS1
SCHEMBL21392194 0.79
SCHEMBL21381744 0.75 CTPS1 (0.57) CTPS1
SCHEMBL30415979 0.75 CTPS1 (0.57) CTPS1
SCHEMBL30882878 0.70 CTPS1 (0.39) CTPS1
SCHEMBL29228056 0.70 CTPS1 (0.39) CTPS1
SCHEMBL25372841 0.64 CNR2 (0.33)
SCHEMBL28485297 0.61 CTPS1 (0.34) CTPS1
SCHEMBL25373677 0.61 ALDH1A1 (0.34)
SCHEMBL25375134 0.61 HIF1A (0.34)

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
WO-2019180244-A1 AMINOPYRIMIDINE DERIVATIVES AS CTPS1 INHIBITORS STEP PHARMA S.A.S. (FR) 2019-09-26 WO disclosed