SCHEMBL23085459

SCHEMBL23085459

CN1C(=O)CCOc2ccc(C#CC(C)(C)CO)cc21

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 14/20 0.46
▸ MAP3K14 Q99558 6/20 0.45

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
SCHEMBL23081610 0.91 RIPK1 (0.46) RIPK1MAP3K14
SCHEMBL23085467 0.89 MAP3K14 (0.45) RIPK1MAP3K14
SCHEMBL22590505 0.87 MAP3K14 (0.57) RIPK1MAP3K14
SCHEMBL23081626 0.87 MAP3K14 (0.46) RIPK1MAP3K14
SCHEMBL23085717 0.83 RIPK1 (0.46) RIPK1MAP3K14
SCHEMBL22878852 0.82 RIPK1 (0.47) RIPK1MAP3K14
SCHEMBL23085466 0.82 RIPK1 (0.41) RIPK1MAP3K14
SCHEMBL23900349 0.78 RIPK1 (0.48) RIPK1MAP3K14
SCHEMBL23085715 0.78 RIPK1 (0.45) RIPK1MAP3K14
SCHEMBL23081922 0.78 MAP3K14 (0.49) RIPK1MAP3K14

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021203011-A1 RIP1K INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2021-10-07 — — WO disclosed
WO-2021046407-A1 RIP1 INHIBITORY COMPOUNDS AND METHODS FOR MAKING AND USING THE SAME RIGEL PHARMACEUTICALS, INC. (US) 2021-03-11 — — WO disclosed
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