SCHEMBL21496687

SCHEMBL21496687

CN1C(=O)[C@@H](NC(=O)O)COc2cccnc21

nearest known ligand 0.65

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 20/20 0.65

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
SCHEMBL21496688 1.00 RIPK1 (0.65) RIPK1
SCHEMBL19207590 0.92 RIPK1 (0.57) RIPK1
SCHEMBL25875210 0.90 RIPK1 (0.62) RIPK1
SCHEMBL19255132 0.85 RIPK1 (0.58) RIPK1
SCHEMBL29014311 0.84 RIPK1 (0.56) RIPK1
SCHEMBL19207688 0.84 RIPK1 (0.56) RIPK1
SCHEMBL25240551 0.81 RIPK1 (0.64) RIPK1
SCHEMBL25240556 0.81 RIPK1 (0.64) RIPK1
Eclitasertib SCHEMBL19207480 0.81 RIPK1 (0.77) RIPK1
Eclitasertib SCHEMBL19207477 0.81 RIPK1 (0.77) RIPK1

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
EP-4126864-A1 RIP1K INHIBITORS Rigel Pharmaceuticals, Inc. (US) 2023-02-08 EP disclosed
WO-2021203011-A1 RIP1K INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2021-10-07 WO disclosed
EP-3781571-A1 N-[4-OXO-2,3-DIHYDRO-1,5-BENZOXAZEPIN-3-YL]-5,6-DIHYDRO-4H-PYRROLO[1,2-B]PYRAZOL E-2-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS RIP1 KINASE INHIBITORS FOR TREATING E.G. IRRITABLE BOWEL SYNDROME (IBS) F. Hoffmann-La Roche AG (CH) 2021-02-24 EP disclosed
WO-2019204537-A1 N-[4-OXO-2,3-DIHYDRO-1,5-BENZOXAZEPIN-3-YL]-5,6-DIHYDRO-4H-PYRROLO[1,2-B]PYRAZOL E-2-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS RIP1 KINASE INHIBITORS FOR TREATING E.G. IRRITABLE BOWEL SYNDROME (IBS) GENENTECH, INC. (US) 2019-10-24 WO disclosed