SCHEMBL21387665

SCHEMBL21387665

CCC(C(=O)Nc1ccc(-c2cccnc2)cn1)c1ccnc(NSC2CC2)n1

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CTPS1 P17812 18/20 0.73
▸ GSK3B P49841 1/20 0.42
▸ DYRK1A Q13627 1/20 0.42

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
SCHEMBL21387704 0.90 CTPS1 (0.73) CTPS1
SCHEMBL21387615 0.86 CTPS1 (0.76) CTPS1
SCHEMBL21387629 0.86 CTPS1 (0.75) CTPS1
SCHEMBL21373847 0.84 CTPS1 (1.00) CTPS1
SCHEMBL21387668 0.83 CTPS1 (0.63) CTPS1
SCHEMBL21392133 0.78 CTPS1 (0.74) CTPS1
SCHEMBL24832442 0.76 CTPS1 (0.48) CTPS1
SCHEMBL21387669 0.76 CTPS1 (0.74) CTPS1
SCHEMBL21387644 0.76 CTPS1 (0.75) CTPS1
SCHEMBL21387607 0.76 CTPS1 (0.75) 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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