SCHEMBL23900235

SCHEMBL23900235

CN1C(=O)CCOc2cc(C#CC(C)(C)O)cnc21

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 11/20 0.46
▸ GRM5 P41594 1/20 0.43
▸ MAP3K14 Q99558 7/20 0.41
▸ PIK3CD O00329 2/20 0.38
▸ PIK3R1 P27986 2/20 0.38
▸ CHRNB2 P17787 1/20 0.35
▸ CHRNA3 P32297 1/20 0.35
▸ CHRNA2 Q15822 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
SCHEMBL23900349 0.88 RIPK1 (0.48) RIPK1GRM5MAP3K14
Hydrochloric Acid SCHEMBL30250543 0.81 MAP3K14 (0.40) RIPK1MAP3K14PIK3CDPIK3R1CHRNB2
SCHEMBL23081922 0.79 MAP3K14 (0.49) RIPK1MAP3K14PIK3CDPIK3R1
SCHEMBL23900311 0.76 GRM5 (0.51) RIPK1GRM5
SCHEMBL22590505 0.76 MAP3K14 (0.57) RIPK1MAP3K14PIK3CDPIK3R1
SCHEMBL23900266 0.76 RIPK1 (0.49) RIPK1GRM5PIK3CDPIK3R1
SCHEMBL23900227 0.75 RIPK1 (0.45) RIPK1MAP3K14PIK3CDPIK3R1
SCHEMBL25077692 0.72 RIPK1 (0.47) RIPK1MAP3K14
SCHEMBL25077491 0.70 MAP3K14 (0.50) MAP3K14
SCHEMBL23081610 0.67 RIPK1 (0.46) RIPK1GRM5MAP3K14

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-2021203011-A1 RIP1K INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2021-10-07 — — WO disclosed
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