SCHEMBL21500799

SCHEMBL21500799

CN1C(=O)CCOc2cccnc21

nearest known ligand 0.39

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 19/20 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
SCHEMBL30250877 1.00 RIPK1 (0.39) RIPK1
SCHEMBL30336156 0.84 CYP11B1 (0.47) RIPK1
SCHEMBL4067526 0.84 CYP11B1 (0.47) RIPK1
SCHEMBL22736833 0.81 RIPK1 (0.34) RIPK1
SCHEMBL21500789 0.78 CYP1A2 (0.31)
SCHEMBL19228337 0.76 RIPK1 (0.42) RIPK1
SCHEMBL24310373 0.75 RIPK1 (0.37) RIPK1
SCHEMBL517094 0.73 GRM5 (0.51)
SCHEMBL14288740 0.73 NOTUM (0.46)
SCHEMBL29933984 0.73 GRM5 (0.51)

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-3781571-B1 N-[4-OXO-2,3-DIHYDRO-PYRIDO[3,2-B][1,4]OXAZEPIN-3-YL]-5,6-DIHYDRO-4H-PYRROLO[1,2-B]PYRAZOLE-2-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS RIP1 KINASE INHIBITORS FOR TREATING E.G. IRRITABLE BOWEL SYNDROME (IBS) HOFFMANN LA ROCHE (CH) 2024-01-17 EP disclosed
WO-2021203011-A1 RIP1K INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2021-10-07 WO disclosed
WO-2021029632-A1 FUSED RING HETEROARYL COMPOUNDS AS RIPK1 INHIBITORS BISICHEM CO., LTD. (KR) 2021-02-18 WO 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