SCHEMBL29927414

SCHEMBL29927414

CC(C)(C)OC(=O)n1cc(Cc2cccnn2)cn1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.43
SCD O00767 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.38
ROCK2 O75116 1/20 0.37
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
MGLL Q99685 1/20 0.35
GRM5 P41594 1/20 0.35
GRM1 Q13255 1/20 0.35
CYP1A2 P05177 1/20 0.35
GPR119 Q8TDV5 2/20 0.34
POLB P06746 1/20 0.33
VNN1 O95497 1/20 0.32
NAMPT P43490 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL23075460 1.00 RIPK1 (0.43) RIPK1SCDCTDSP1ROCK2JAK2
SCHEMBL23075410 0.84 RIPK1 (0.42) RIPK1SCDROCK2MGLLGRM5
SCHEMBL29842483 0.84 RIPK1 (0.42) RIPK1SCDROCK2MGLLGRM5
SCHEMBL23067722 0.82 RIPK1 (0.45) RIPK1CTDSP1CYP1A2VNN1NAMPT
SCHEMBL29842646 0.81 RIPK1 (0.43) RIPK1SCDROCK2JAK2JAK1
SCHEMBL23075373 0.81 RIPK1 (0.43) RIPK1SCDROCK2JAK2JAK1
SCHEMBL29926795 0.80 TBXAS1 (0.43) RIPK1SCDGRM5GRM1GPR119
SCHEMBL23075395 0.80 TBXAS1 (0.43) RIPK1SCDGRM5GRM1GPR119
SCHEMBL23075419 0.80 RIPK1 (0.45) RIPK1SCDROCK2MGLL
SCHEMBL29842599 0.80 RIPK1 (0.45) RIPK1SCDROCK2MGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114761398-B Heterocyclic RIP1 kinase inhibitors 里格尔药品股份有限公司 2025-03-11 CN disclosed
CN-117083270-A Heterocyclic RIP1 kinase inhibitors 里格尔药品股份有限公司 2023-11-17 CN disclosed
CN-114761398-A Heterocyclic RIP1 kinase inhibitors 里格尔药品股份有限公司 2022-07-15 CN disclosed