SCHEMBL21387593

SCHEMBL21387593

O=C(Cc1ccnc(NSC2CC2)n1)Nc1ccc(-c2cncc(C(F)(F)F)n2)cc1

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CTPS1 P17812 20/20 0.60
▸ CTPS2 Q9NRF8 1/20 0.39

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
SCHEMBL21387601 0.88 CTPS1 (0.48) CTPS1CTPS2
SCHEMBL21373752 0.85 CTPS1 (0.76) CTPS1
SCHEMBL21387691 0.84 CTPS1 (0.74) CTPS1
SCHEMBL21387603 0.84 CTPS1 (0.49) CTPS1
SCHEMBL21387638 0.83 CTPS1 (0.51) CTPS1
SCHEMBL21387609 0.82 CTPS1 (0.71) CTPS1
SCHEMBL21387729 0.82 CTPS1 (0.46) CTPS1
SCHEMBL21387707 0.81 CTPS1 (0.75) CTPS1
SCHEMBL21387604 0.80 CTPS1 (0.69) CTPS1
SCHEMBL21387674 0.80 CTPS1 (0.72) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020245665-A1 N-(4-(5-CHLOROPYRIDIN-3-YL)PHENYL)-2-(2-(CYCLOPROPANESULFONAMIDO)PYRIMIDIN-4-YL) BUTANAMIDE DERIVATIVES AND RELATED COMPOUNDS AS HUMAN CTPS1 INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISEASES STEP PHARMA S.A.S. (FR) 2020-12-10 — — WO disclosed
WO-2019180244-A1 AMINOPYRIMIDINE DERIVATIVES AS CTPS1 INHIBITORS STEP PHARMA S.A.S. (FR) 2019-09-26 — — WO disclosed
EP-3543232-A1 AMINOPYRIMIDINE DERIVATIVES AS CTPS1 INHIBITORS Step Pharma S.A.S. (FR) 2019-09-25 — — EP disclosed
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