SCHEMBL30338792

SCHEMBL30338792

N#Cc1cncc([C@@H]2CCON2C(=O)C2CCN(c3ncc(F)c(C(N)=O)n3)CC2)c1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 14/20 0.53
PARP1 P09874 1/20 0.34
GPBAR1 Q8TDU6 1/20 0.33
GSK3B P49841 1/20 0.33
DYRK1A Q13627 1/20 0.33
DPP4 P27487 1/20 0.32
DPP8 Q6V1X1 1/20 0.32
DPP9 Q86TI2 1/20 0.32
DPP7 Q9UHL4 1/20 0.32
CHRM4 P08173 1/20 0.31
TP53 P04637 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
SCHEMBL25303686 1.00 RIPK1 (0.53) RIPK1PARP1GPBAR1GSK3BDYRK1A
SCHEMBL30338649 0.92 RIPK1 (0.56) RIPK1GPBAR1DPP4DPP8DPP9
SCHEMBL25253145 0.92 RIPK1 (0.56) RIPK1GPBAR1DPP4DPP8DPP9
SCHEMBL30338527 0.90 RIPK1 (0.49) RIPK1GSK3BDYRK1ATP53
SCHEMBL25816910 0.90 RIPK1 (0.49) RIPK1GSK3BDYRK1ATP53
SCHEMBL30339421 0.89 RIPK1 (0.53) RIPK1GPBAR1GSK3BDYRK1ACHRM4
SCHEMBL25256763 0.89 RIPK1 (0.53) RIPK1GPBAR1GSK3BDYRK1ACHRM4
SCHEMBL25817026 0.89 RIPK1 (0.53) RIPK1GPBAR1GSK3BDYRK1ACHRM4
SCHEMBL30338913 0.89 RIPK1 (0.53) RIPK1GPBAR1GSK3BDYRK1ACHRM4
SCHEMBL25257155 0.89 RIPK1 (0.51) RIPK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116547281-A Isoxazolidines as RIPK1 inhibitors and uses thereof 赛诺菲 2023-08-04 CN claimed
EP-4157835-A1 ISOXAZOLIDINES AS RIPK1 INHIBITORS AND USE THEREOF SANOFI (FR) 2023-04-05 EP claimed
CN-116547281-A Isoxazolidines as RIPK1 inhibitors and uses thereof 赛诺菲 2023-08-04 CN disclosed
EP-4157835-A1 ISOXAZOLIDINES AS RIPK1 INHIBITORS AND USE THEREOF SANOFI (FR) 2023-04-05 EP disclosed