SCHEMBL23085614

SCHEMBL23085614

CN1C(=O)CCOc2ccc(C#CC3(F)CNC3)cc21

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 6/20 0.47
▸ MAP3K14 Q99558 12/20 0.39
▸ GRM5 P41594 1/20 0.35
▸ PDE3B Q13370 1/20 0.35
▸ PDE3A Q14432 1/20 0.35

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
SCHEMBL23085588 0.88 RIPK1 (0.47) RIPK1MAP3K14
SCHEMBL23085583 0.87 RIPK1 (0.46) RIPK1MAP3K14
SCHEMBL23085596 0.87 RIPK1 (0.46) RIPK1MAP3K14GRM5
SCHEMBL23085582 0.84 RIPK1 (0.39) RIPK1MAP3K14GRM5
SCHEMBL23075914 0.84 RIPK1 (0.50) RIPK1MAP3K14
SCHEMBL23085720 0.81 RIPK1 (0.48) RIPK1MAP3K14
SCHEMBL23085485 0.81 RIPK1 (0.46) RIPK1MAP3K14
SCHEMBL23081597 0.80 NPC1 (0.47) RIPK1MAP3K14
SCHEMBL23085476 0.80 MAP3K14 (0.47) RIPK1MAP3K14
SCHEMBL23085565 0.80 RIPK1 (0.46) 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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