SCHEMBL21387622

SCHEMBL21387622

CCOc1cncc(-c2ccc(NC(=O)C(CC)c3ccnc(NSC4CC4)n3)c(F)c2)n1

nearest known ligand 0.64

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ CTPS1 P17812 20/20 0.64

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
SCHEMBL21387605 0.94 CTPS1 (0.62) CTPS1
SCHEMBL21387712 0.93 CTPS1 (0.60) CTPS1
SCHEMBL21387607 0.88 CTPS1 (0.75) CTPS1
SCHEMBL21387699 0.88 CTPS1 (0.60) CTPS1
SCHEMBL21387602 0.88 CTPS1 (0.61) CTPS1
SCHEMBL23139871 0.87 CTPS1 (0.62) CTPS1
SCHEMBL21373845 0.87 CTPS1 (0.80) CTPS1
SCHEMBL30528896 0.87 CTPS1 (0.80) CTPS1
SCHEMBL21387629 0.84 CTPS1 (0.75) CTPS1
SCHEMBL21387756 0.83 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-3543232-A1 AMINOPYRIMIDINE DERIVATIVES AS CTPS1 INHIBITORS Step Pharma S.A.S. (FR) 2019-09-25 — — EP disclosed
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