SCHEMBL22758485

SCHEMBL22758485

CCOc1cncc(-c2ccc(NC(=O)C3(c4nccc(NSC5CC5)n4)CCN(C)CC3)nc2)n1

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CTPS1 P17812 19/20 0.53
▸ DYRK1A Q13627 1/20 0.38

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
SCHEMBL22758482 0.87 CTPS1 (0.65) CTPS1
SCHEMBL30528738 0.80 CTPS1 (0.64) CTPS1
SCHEMBL24832441 0.80 CTPS1 (0.68) CTPS1
SCHEMBL22762663 0.79 CTPS1 (0.63) CTPS1
SCHEMBL22758469 0.78 CTPS1 (0.80) CTPS1
SCHEMBL24832445 0.78 CTPS1 (0.61) CTPS1
SCHEMBL22758553 0.77 CTPS1 (0.64) CTPS1
SCHEMBL22758489 0.77 CTPS1 (0.66) CTPS1
SCHEMBL21392129 0.77 CTPS1 (0.73) CTPS1
SCHEMBL29369501 0.77 CTPS1 (0.66) 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
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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