SCHEMBL23085585

SCHEMBL23085585

COc1ccnc(C(=O)N[C@@H]2COc3ccc(C#CC(C)(C)O)cc3N(C)C2=O)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 20/20 1.00

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
SCHEMBL23068391 1.00 RIPK1 (1.00) RIPK1
SCHEMBL23068397 1.00 RIPK1 (1.00) RIPK1
SCHEMBL29757043 1.00 RIPK1 (1.00) RIPK1
SCHEMBL23076299 0.93 RIPK1 (0.86) RIPK1
SCHEMBL23068536 0.93 RIPK1 (1.00) RIPK1
SCHEMBL29757081 0.93 RIPK1 (1.00) RIPK1
SCHEMBL23076099 0.93 RIPK1 (1.00) RIPK1
SCHEMBL23068535 0.93 RIPK1 (1.00) RIPK1
SCHEMBL23068444 0.92 RIPK1 (1.00) RIPK1
SCHEMBL23076098 0.92 RIPK1 (1.00) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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