SCHEMBL23900349

SCHEMBL23900349

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

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 11/20 0.48
▸ GRM5 P41594 4/20 0.41
▸ DGAT1 O75907 3/20 0.33
▸ MAP3K14 Q99558 2/20 0.32
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31

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
SCHEMBL23900235 0.88 RIPK1 (0.46) RIPK1GRM5MAP3K14
SCHEMBL23081610 0.80 RIPK1 (0.46) RIPK1GRM5DGAT1MAP3K14
SCHEMBL23085459 0.78 RIPK1 (0.46) RIPK1MAP3K14
SCHEMBL23900101 0.77 RIPK1 (0.47) RIPK1MAP3K14
SCHEMBL23900266 0.75 RIPK1 (0.49) RIPK1GRM5
SCHEMBL23900311 0.74 GRM5 (0.51) RIPK1GRM5
Hydrochloric Acid SCHEMBL30250543 0.69 MAP3K14 (0.40) RIPK1MAP3K14
SCHEMBL23081922 0.67 MAP3K14 (0.49) RIPK1MAP3K14
SCHEMBL23085467 0.67 MAP3K14 (0.45) RIPK1MAP3K14
SCHEMBL22590505 0.65 MAP3K14 (0.57) 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-2021203011-A1 RIP1K INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2021-10-07 — — WO disclosed
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