SCHEMBL30338797

SCHEMBL30338797

N#Cc1ccc([C@@H]2CCON2C(=O)C2CCN(c3nccc(C(N)=O)n3)CC2)nc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 8/20 0.46
HTR1A P08908 2/20 0.40
FPR2 P25090 1/20 0.37
TP53 P04637 1/20 0.36
HSD11B1 P28845 1/20 0.36
AOC3 Q16853 1/20 0.35
PARP1 P09874 1/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
JAK3 P52333 1/20 0.35
KCNH2 Q12809 1/20 0.35
SCD5 Q86SK9 1/20 0.34
KDM4E B2RXH2 1/20 0.34
RECQL P46063 1/20 0.34
GPBAR1 Q8TDU6 1/20 0.33

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
SCHEMBL25294541 1.00 RIPK1 (0.46) RIPK1HTR1AFPR2TP53HSD11B1
SCHEMBL25296456 0.86 EIF2AK4 (0.40) RIPK1KDM4E
SCHEMBL30338824 0.86 EIF2AK4 (0.40) RIPK1KDM4E
SCHEMBL30338977 0.85 RIPK1 (0.47) RIPK1HSD11B1PARP1JAK2JAK1
SCHEMBL25296950 0.85 RIPK1 (0.47) RIPK1HSD11B1PARP1JAK2JAK1
SCHEMBL30338624 0.85 RIPK1 (0.40) RIPK1HTR1AFPR2TP53KDM4E
SCHEMBL25821042 0.85 RIPK1 (0.40) RIPK1HTR1AFPR2TP53KDM4E
SCHEMBL25817041 0.85 RIPK1 (0.40) RIPK1HTR1AFPR2TP53KDM4E
SCHEMBL25258724 0.85 RIPK1 (0.58) RIPK1FPR2HSD11B1JAK2JAK1
SCHEMBL30338717 0.85 RIPK1 (0.58) RIPK1FPR2HSD11B1JAK2JAK1

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