SCHEMBL29546513

SCHEMBL29546513

NC(=O)c1c(N2C[C@H]3C[C@@H]2CO3)nn2cccnc12

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 4/20 0.39
▸ PDE10A Q9Y233 1/20 0.36
▸ DPP4 P27487 1/20 0.35
▸ FAP Q12884 1/20 0.35
▸ DPP8 Q6V1X1 1/20 0.35
▸ MAPK1 P28482 4/20 0.35
▸ GRM4 Q14833 2/20 0.34
▸ MAP3K12 Q12852 2/20 0.34
▸ JAK2 O60674 1/20 0.33
▸ JAK3 P52333 1/20 0.33
▸ HPGD P15428 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ PIK3CD O00329 1/20 0.32
▸ PIK3R2 O00459 1/20 0.32
▸ PIK3CG P48736 1/20 0.32
▸ IDH1 O75874 1/20 0.32
▸ NAMPT P43490 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
SCHEMBL30408161 0.90 IRAK4 (0.40) IRAK4PDE10ADPP4FAPDPP8
SCHEMBL31211966 0.74 JAK2 (0.39) IRAK4JAK2
SCHEMBL31211838 0.73 JAK2 (0.40) IRAK4JAK2
Trifluoroacetic Acid SCHEMBL19875882 0.72 IRAK4 (0.41) IRAK4
SCHEMBL30267250 0.69 JAK2 (0.54) IRAK4PDE10AJAK2JAK3
SCHEMBL31211952 0.68 L3MBTL1 (0.36) JAK2JAK3HPGDSMN1; SMN2
SCHEMBL29767995 0.68 JAK2 (0.43) IRAK4MAPK1JAK2JAK3PIK3CD
SCHEMBL31061409 0.67 IRAK4 (0.40) IRAK4JAK2JAK3HPGDPIK3CD
SCHEMBL17657041 0.67 PIK3CG (0.45) IRAK4JAK2JAK3PIK3CDPIK3R2
SCHEMBL31211879 0.67 HTR3A (0.37) HPGDSMN1; SMN2

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
EP-4232059-A1 DOUBLE DEGRADERS AND USES THEREOF Kymera Therapeutics, Inc. (US) 2023-08-30 — — EP disclosed
WO-2022087216-A1 DOUBLE DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2022-04-28 — — WO disclosed
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