SCHEMBL21387602

SCHEMBL21387602

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

nearest known ligand 0.61

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ CTPS1 P17812 20/20 0.61

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
SCHEMBL21387670 0.93 CTPS1 (0.58) CTPS1
SCHEMBL21387689 0.92 CTPS1 (0.57) CTPS1
SCHEMBL21387669 0.88 CTPS1 (0.74) CTPS1
SCHEMBL21387622 0.88 CTPS1 (0.64) CTPS1
SCHEMBL21387707 0.86 CTPS1 (0.75) CTPS1
SCHEMBL21373784 0.85 CTPS1 (0.80) CTPS1
SCHEMBL24832442 0.83 CTPS1 (0.48) CTPS1
SCHEMBL21387638 0.82 CTPS1 (0.51) CTPS1
SCHEMBL21387704 0.82 CTPS1 (0.73) CTPS1
SCHEMBL21392133 0.82 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
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