SCHEMBL21387727

SCHEMBL21387727

CC(C)Oc1cncc(C2=CC=C(NC(=O)Cc3ccnc(NS(=O)(=O)C4CC4)n3)C(C)C2)n1

nearest known ligand 0.47

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ CTPS1 P17812 20/20 0.47

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
SCHEMBL21373750 0.83 CTPS1 (0.64) CTPS1
SCHEMBL21373853 0.80 CTPS1 (0.70) CTPS1
SCHEMBL30528972 0.80 CTPS1 (0.70) CTPS1
SCHEMBL29228048 0.74 CTPS1 (0.62) CTPS1
SCHEMBL21373795 0.74 CTPS1 (0.67) CTPS1
SCHEMBL21373846 0.74 CTPS1 (0.69) CTPS1
SCHEMBL24107102 0.73 CTPS1 (0.72) CTPS1
SCHEMBL21373749 0.72 CTPS1 (0.78) CTPS1
SCHEMBL21373730 0.71 CTPS1 (0.71) CTPS1
SCHEMBL30528993 0.71 CTPS1 (0.71) 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