SCHEMBL22758468

SCHEMBL22758468

CCOc1cncc(-c2ccc(NC(=O)C3(c4ccnc(NS(=O)(=O)C5CC5)n4)CCN(C(C)=O)CC3)nc2)n1

nearest known ligand 0.84

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ CTPS1 P17812 20/20 0.84

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
SCHEMBL29369831 1.00 CTPS1 (0.84) CTPS1
SCHEMBL22758480 0.93 CTPS1 (0.84) CTPS1
SCHEMBL29368751 0.93 CTPS1 (0.84) CTPS1
SCHEMBL30528888 0.92 CTPS1 (0.83) CTPS1
SCHEMBL29565911 0.92 CTPS1 (0.83) CTPS1
SCHEMBL21384723 0.92 CTPS1 (0.90) CTPS1
SCHEMBL30518347 0.92 CTPS1 (0.90) CTPS1
SCHEMBL29565600 0.92 CTPS1 (0.80) CTPS1
SCHEMBL22762458 0.92 CTPS1 (0.82) CTPS1
SCHEMBL30528899 0.92 CTPS1 (0.82) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114008039-A N- (5- (6-ethoxypyrazin-2-yl) pyridin-2-yl) -4- (2- (methylsulfonylamino) pyrimidin-4-yl) tetrahydro-2H-pyran-4-carboxamide derivatives and related compounds as human CTPS1 inhibitors for the treatment of proliferative diseases 斯泰普制药股份公司 2022-02-01 — — CN claimed
CN-114008039-B Compounds as human CTPS1 inhibitors for the treatment of proliferative diseases 斯泰普制药股份公司 2024-01-16 — — CN disclosed
CN-114008039-A N- (5- (6-ethoxypyrazin-2-yl) pyridin-2-yl) -4- (2- (methylsulfonylamino) pyrimidin-4-yl) tetrahydro-2H-pyran-4-carboxamide derivatives and related compounds as human CTPS1 inhibitors for the treatment of proliferative diseases 斯泰普制药股份公司 2022-02-01 — — CN disclosed
WO-2020245664-A1 N-(5-(6-ETHOXYPYRAZIN-2-YL)PYRIDIN-2-YL)-4-(2-(METHYLSULFONAMIDO)PYRIMIDIN-4-YL) TETRAHYDRO-2H-PYRAN-4-CARBOXAMIDE 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
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