SCHEMBL23085564

SCHEMBL23085564

C=C1CCCc2ccc(C#CC3(O)COC3)cc2N1C

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 19/20 0.41
▸ MAP3K14 Q99558 1/20 0.34

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
SCHEMBL23075162 0.86 RIPK1 (0.43) RIPK1MAP3K14
SCHEMBL23085448 0.74 RIPK1 (0.57) RIPK1
SCHEMBL23075411 0.69 RIPK1 (0.49) RIPK1MAP3K14
SCHEMBL22968514 0.65 RIPK1 (0.57) RIPK1
SCHEMBL23067814 0.65 RIPK1 (0.57) RIPK1
SCHEMBL23075318 0.63 RIPK1 (0.64) RIPK1
SCHEMBL13663474 0.63 MEN1 (0.45) —
SCHEMBL30832140 0.61 SLC6A4 (0.40) —
SCHEMBL23081597 0.60 NPC1 (0.47) RIPK1MAP3K14
SCHEMBL23085476 0.60 MAP3K14 (0.47) 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 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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