SCHEMBL21387726

SCHEMBL21387726

O=C(Cc1ccnc(N[S+]([O-])C2CC2)n1)Nc1ccc(-c2cncc(OCC(F)(F)F)c2)cc1

nearest known ligand 0.73

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ CTPS1 P17812 20/20 0.73

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
SCHEMBL21373863 0.84 CTPS1 (1.00) CTPS1
SCHEMBL21387660 0.83 CTPS1 (0.73) CTPS1
SCHEMBL21076979 0.76 CTPS1 (0.47) CTPS1
SCHEMBL21387701 0.75 CTPS1 (0.75) CTPS1
SCHEMBL21076998 0.73 CTPS1 (0.59) CTPS1
SCHEMBL21387691 0.73 CTPS1 (0.74) CTPS1
SCHEMBL21373741 0.72 CTPS1 (1.00) CTPS1
SCHEMBL29228133 0.71 CTPS1 (0.76) CTPS1
SCHEMBL21387632 0.71 CTPS1 (0.72) CTPS1
SCHEMBL21373728 0.70 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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