SCHEMBL21387645

SCHEMBL21387645

Cc1cc(-c2cncc(C(F)(F)F)n2)ccc1NC(=O)C(C)(C)c1ccnc(NSC2CC2)n1

nearest known ligand 0.75

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CTPS1 P17812 20/20 0.75
▸ CTPS2 Q9NRF8 1/20 0.48

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
SCHEMBL21387616 0.92 CTPS1 (0.64) CTPS1CTPS2
SCHEMBL21387610 0.90 CTPS1 (0.77) CTPS1CTPS2
SCHEMBL21387609 0.88 CTPS1 (0.71) CTPS1
SCHEMBL30528804 0.86 CTPS1 (1.00) CTPS1CTPS2
SCHEMBL21373848 0.86 CTPS1 (1.00) CTPS1CTPS2
SCHEMBL21387733 0.85 CTPS1 (0.72) CTPS1CTPS2
SCHEMBL21387681 0.85 CTPS1 (0.76) CTPS1
SCHEMBL21373803 0.84 CTPS1 (1.00) CTPS1CTPS2
SCHEMBL30528967 0.84 CTPS1 (1.00) CTPS1CTPS2
SCHEMBL21387624 0.81 CTPS1 (0.63) 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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