SCHEMBL21387741

SCHEMBL21387741

CCOc1cncc(-c2ccc(NC(=O)C(C)(C)c3ccnc(N[S+]([O-])C4CC4)n3)c(F)c2)n1

nearest known ligand 0.63

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CTPS1 P17812 20/20 0.63

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
SCHEMBL21387694 0.93 CTPS1 (0.62) CTPS1
SCHEMBL21387606 0.91 CTPS1 (0.60) CTPS1
SCHEMBL21387675 0.91 CTPS1 (0.58) CTPS1
SCHEMBL21387652 0.89 CTPS1 (0.74) CTPS1
SCHEMBL21387754 0.87 CTPS1 (0.74) CTPS1
SCHEMBL21077228 0.86 CTPS1 (0.58) CTPS1
SCHEMBL21387737 0.86 CTPS1 (0.72) CTPS1
SCHEMBL30528778 0.85 CTPS1 (0.83) CTPS1
SCHEMBL21373809 0.85 CTPS1 (0.83) CTPS1
SCHEMBL21387740 0.84 CTPS1 (0.69) 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