SCHEMBL21387628

SCHEMBL21387628

CCOc1cncc(-c2ccc(NC(=O)C(C)(C)c3ccnc(NSC4CC4)n3)cc2)n1

nearest known ligand 0.72

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CTPS1 P17812 20/20 0.72

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
SCHEMBL21387739 0.98 CTPS1 (0.74) CTPS1
SCHEMBL21387745 0.92 CTPS1 (0.74) CTPS1
SCHEMBL21387608 0.92 CTPS1 (0.71) CTPS1
SCHEMBL21387672 0.91 CTPS1 (0.60) CTPS1
SCHEMBL21387730 0.91 CTPS1 (0.73) CTPS1
SCHEMBL21387682 0.90 CTPS1 (0.77) CTPS1
SCHEMBL21387653 0.89 CTPS1 (0.60) CTPS1
SCHEMBL21387650 0.89 CTPS1 (0.73) CTPS1
SCHEMBL21387630 0.89 CTPS1 (0.75) CTPS1
SCHEMBL21387683 0.89 CTPS1 (0.74) 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