SCHEMBL21387742

SCHEMBL21387742

CC(C)(C(=O)Nc1ccc(-c2cccnc2)cc1F)c1ccnc(NSC2CC2)n1

nearest known ligand 0.74

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CTPS1 P17812 14/20 0.74
▸ ABCB1 P08183 6/20 0.47
▸ ABCC1 P33527 2/20 0.46

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
SCHEMBL21373818 0.85 CTPS1 (1.00) CTPS1
SCHEMBL30528848 0.85 CTPS1 (1.00) CTPS1
SCHEMBL21387687 0.85 CTPS1 (0.76) CTPS1
SCHEMBL21387616 0.84 CTPS1 (0.64) CTPS1
SCHEMBL21387678 0.81 CTPS1 (0.75) CTPS1
SCHEMBL21387629 0.79 CTPS1 (0.75) CTPS1ABCB1
SCHEMBL21387685 0.79 CTPS1 (0.76) CTPS1
SCHEMBL21387656 0.78 CTPS1 (0.73) CTPS1
SCHEMBL21387646 0.77 CTPS1 (0.70) CTPS1
SCHEMBL21387655 0.76 CTPS1 (0.72) 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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