SCHEMBL30338741

SCHEMBL30338741

N#Cc1cncc([C@@H]2CCON2C(=O)C2CCN(c3nccc(C#N)n3)CC2)c1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 12/20 0.49
TP53 P04637 1/20 0.38
PANK3 Q9H999 1/20 0.36
CTSS P25774 3/20 0.36
GSK3B P49841 1/20 0.35
DYRK1A Q13627 1/20 0.35
THRB P10828 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL25816799 1.00 RIPK1 (0.49) RIPK1TP53PANK3CTSSGSK3B
SCHEMBL25253169 0.92 RIPK1 (0.50) RIPK1TP53GSK3BDYRK1ATHRB
SCHEMBL30339063 0.92 RIPK1 (0.50) RIPK1TP53GSK3BDYRK1ATHRB
SCHEMBL30338933 0.90 RIPK1 (0.49) RIPK1TP53GSK3BDYRK1ATHRB
SCHEMBL25256162 0.90 RIPK1 (0.49) RIPK1TP53GSK3BDYRK1ATHRB
SCHEMBL25817088 0.90 RIPK1 (0.46) RIPK1PANK3CTSSKDM4E
SCHEMBL30338915 0.90 RIPK1 (0.46) RIPK1PANK3CTSSKDM4E
SCHEMBL25250096 0.90 RIPK1 (0.49) RIPK1TP53GSK3BDYRK1ATHRB
SCHEMBL30338864 0.90 RIPK1 (0.49) RIPK1TP53GSK3BDYRK1ATHRB
SCHEMBL25816909 0.90 RIPK1 (0.51) RIPK1PANK3CTSS

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