SCHEMBL21387668

SCHEMBL21387668

CCC(C(=O)Nc1ccc(-c2cncc(C(F)(F)F)n2)cn1)c1ccnc(NSC2CC2)n1

nearest known ligand 0.63

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CTPS1 P17812 20/20 0.63
▸ CTPS2 Q9NRF8 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
SCHEMBL21387707 0.91 CTPS1 (0.75) CTPS1
SCHEMBL21387699 0.88 CTPS1 (0.60) CTPS1CTPS2
SCHEMBL21387615 0.87 CTPS1 (0.76) CTPS1
SCHEMBL30528856 0.86 CTPS1 (0.84) CTPS1
SCHEMBL21373854 0.86 CTPS1 (0.84) CTPS1
SCHEMBL21387665 0.83 CTPS1 (0.73) CTPS1
SCHEMBL21387669 0.79 CTPS1 (0.74) CTPS1
SCHEMBL24832442 0.79 CTPS1 (0.48) CTPS1
SCHEMBL21387644 0.78 CTPS1 (0.75) CTPS1
SCHEMBL21387602 0.77 CTPS1 (0.61) 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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