SCHEMBL29966778

SCHEMBL29966778

CC(C)(C(=O)N1OCC[C@H]1c1ccc(C(F)F)nc1)C(F)F

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 14/20 0.35
MGLL Q99685 1/20 0.32
JAK2 O60674 2/20 0.31
JAK1 P23458 2/20 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
SCHEMBL18921394 1.00 RIPK1 (0.35) RIPK1MGLLJAK2JAK1
SCHEMBL29966475 0.91 RIPK1 (0.34) RIPK1MGLLJAK2JAK1
SCHEMBL18921512 0.91 RIPK1 (0.34) RIPK1MGLLJAK2JAK1
SCHEMBL18921349 0.88 RIPK1 (0.36) RIPK1
SCHEMBL20580249 0.88 RIPK1 (0.36) RIPK1
SCHEMBL18921296 0.88 RIPK1 (0.36) RIPK1
SCHEMBL18921464 0.84 RIPK1 (0.36) RIPK1
SCHEMBL18921252 0.83 RIPK1 (0.35) RIPK1MGLLJAK2JAK1
SCHEMBL29966499 0.83 MGLL (0.35) RIPK1MGLL
SCHEMBL28243189 0.83 MGLL (0.35) RIPK1MGLL

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
CN-108602809-B Isoxazolidine derived inhibitors of receptor interacting protein kinase 1(RIPK 1) 戴纳立制药公司 2022-09-30 CN disclosed