SCHEMBL30338709

SCHEMBL30338709

Nc1nc(Cl)nc(N2CCC(C(=O)N3OCC[C@H]3c3cnccn3)CC2)n1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 6/20 0.41
KDM4E B2RXH2 7/20 0.33
POLB P06746 1/20 0.32
LMNA P02545 2/20 0.31
CYP3A4 P08684 1/20 0.31
NEK2 P51955 1/20 0.31
CYP2C19 P33261 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL25301419 1.00 RIPK1 (0.41) RIPK1KDM4EPOLBLMNACYP3A4
SCHEMBL30338552 0.89 RIPK1 (0.39) RIPK1KDM4ELMNARXFP1GAA
SCHEMBL25817349 0.89 RIPK1 (0.39) RIPK1KDM4ELMNARXFP1GAA
SCHEMBL25255422 0.87 RIPK1 (0.42) RIPK1KDM4EPOLBCYP2C19RXFP1
SCHEMBL30338981 0.87 RIPK1 (0.42) RIPK1KDM4EPOLBCYP2C19RXFP1
SCHEMBL30338869 0.86 RIPK1 (0.42) RIPK1KDM4EPOLBMAPT
SCHEMBL25817356 0.86 RIPK1 (0.42) RIPK1KDM4EPOLBMAPT
SCHEMBL31205790 0.82 RIPK1 (0.42) RIPK1KDM4EPOLB
SCHEMBL25256324 0.80 RIPK1 (0.40) RIPK1KDM4EPOLBLMNACYP2C19
SCHEMBL30339402 0.80 RIPK1 (0.40) RIPK1KDM4EPOLBLMNACYP2C19

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