SCHEMBL28564366

SCHEMBL28564366

NC(=O)Oc1nc2c(Br)cccc2s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
SLC9A1 P19634 2/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
LIPG Q9Y5X9 1/20 0.35
PDPK1 O15530 1/20 0.35
LIMK1 P53667 1/20 0.34
DYRK1A Q13627 2/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 2/20 0.33
HPGD P15428 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
BACE1 P56817 1/20 0.33
NPC1 O15118 1/20 0.33
PPARG P37231 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
SCHEMBL30622711 0.82 ALDH1A1 (0.53) MAPTL3MBTL1MEN1KMT2AALDH1A1
SCHEMBL28400513 0.82 ALDH1A1 (0.53) MAPTL3MBTL1MEN1KMT2AALDH1A1
SCHEMBL30622706 0.81 MEN1 (0.33) MAPTSLC9A1MEN1KMT2APDPK1
SCHEMBL28398556 0.81 MEN1 (0.33) MAPTSLC9A1MEN1KMT2APDPK1
SCHEMBL29099875 0.79 MEN1 (0.34) MAPTSLC9A1MEN1KMT2APDPK1
SCHEMBL30622702 0.79 MEN1 (0.34) MAPTSLC9A1MEN1KMT2APDPK1
SCHEMBL28782049 0.77 NPC1 (0.34) MAPTDYRK1AALDH1A1NPSR1NPC1
SCHEMBL10814903 0.76 ALDH1A1 (0.44) MAPTL3MBTL1CASP3SENP8SENP7
SCHEMBL6632291 0.74 CYP1A2 (0.54) MAPTMEN1KMT2ADYRK1AALDH1A1
SCHEMBL28902824 0.72 CLK1 (0.31) DYRK1ASMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117917416-A KRAS G12D degradation agent and preparation method and application thereof 上海领泰生物医药科技有限公司 2024-04-23 CN disclosed
CN-115557974-A KRAS G12D inhibitor and application thereof 上海迪诺医药科技有限公司 2023-01-03 CN disclosed
CN-112805281-B KRAS G12C inhibitors 伊莱利利公司 2022-05-10 CN disclosed
CN-112805281-A KRAS G12C inhibitors 伊莱利利公司 2021-05-14 CN disclosed