SCHEMBL30338982

SCHEMBL30338982

NC(=O)c1cncc([C@@H]2CCON2C(=O)C2CCN(c3ncc(F)c(C(N)=O)n3)CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 9/20 0.47
EIF2AK4 Q9P2K8 1/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
CAMK1D Q8IU85 3/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNA4 P43681 1/20 0.31
JAK2 O60674 1/20 0.31
NTRK1 P04629 1/20 0.31
SYK P43405 1/20 0.30
KDM4E B2RXH2 1/20 0.30
TMPRSS15 P98073 1/20 0.30
PTPN11 Q06124 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
SCHEMBL25817008 1.00 RIPK1 (0.47) RIPK1EIF2AK4HCRTR1HCRTR2CAMK1D
SCHEMBL25257155 0.92 RIPK1 (0.51) RIPK1EIF2AK4JAK2NTRK1
SCHEMBL30338877 0.92 RIPK1 (0.51) RIPK1EIF2AK4JAK2NTRK1
SCHEMBL30338792 0.88 RIPK1 (0.53) RIPK1
SCHEMBL25303686 0.88 RIPK1 (0.53) RIPK1
SCHEMBL30338542 0.86 RIPK1 (0.42) RIPK1TMPRSS15
SCHEMBL25299996 0.86 RIPK1 (0.42) RIPK1TMPRSS15
SCHEMBL25816842 0.84 RIPK1 (0.44) RIPK1KDM4E
SCHEMBL25255972 0.83 RIPK1 (0.50) RIPK1EIF2AK4JAK2NTRK1
SCHEMBL30338522 0.83 RIPK1 (0.50) RIPK1EIF2AK4JAK2NTRK1

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 2 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 disclosed
EP-4157835-A1 ISOXAZOLIDINES AS RIPK1 INHIBITORS AND USE THEREOF SANOFI (FR) 2023-04-05 EP disclosed