SCHEMBL29651321

SCHEMBL29651321

O=C1Nc2ccccc2C1(F)F

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 1/20 0.57
▸ PDK4 Q16654 1/20 0.57
▸ LMNA P02545 2/20 0.53
▸ KMT2A Q03164 4/20 0.48
▸ MEN1 O00255 3/20 0.48
▸ ALDH1A1 P00352 5/20 0.47
▸ GAA P10253 4/20 0.47
▸ POLB P06746 1/20 0.47
▸ CHRM2 P08172 1/20 0.47
▸ ADORA3 P0DMS8 1/20 0.47
▸ KCNH2 Q12809 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ AKR1B1 P15121 1/20 0.47
▸ KDM4E B2RXH2 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ BACE1 P56817 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ RUNX1 Q01196 1/20 0.46
▸ CBFB Q13951 1/20 0.46

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
SCHEMBL318947 1.00 PDK2 (0.57) PDK2PDK4LMNAKMT2AMEN1
SCHEMBL2264504 0.78 PDK2 (0.64) PDK2PDK4LMNAKMT2AMEN1
SCHEMBL29237808 0.78 PDK2 (0.53) PDK2PDK4LMNAKMT2AMEN1
SCHEMBL2264508 0.78 PDK2 (0.64) PDK2PDK4LMNAKMT2AMEN1
SCHEMBL2266448 0.78 PDK2 (0.64) PDK2PDK4LMNAKMT2AMEN1
SCHEMBL25340217 0.76 LMNA (0.76) PDK2PDK4LMNAKMT2AMEN1
SCHEMBL6288766 0.75 LMNA (0.61) PDK2PDK4LMNAKMT2AMEN1
SCHEMBL29588465 0.75 LMNA (0.61) PDK2PDK4LMNAKMT2AMEN1
SCHEMBL31076274 0.74 MAPT (0.49) PDK2PDK4LMNAKMT2AMEN1
SCHEMBL25467800 0.74 GSK3B (0.50) PDK2PDK4LMNAALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117651707-A Novel synthetic TLR4 receptor agonists 米兰-比可卡大学 2024-03-05 — — CN claimed
CN-114555585-B HPK1 inhibitors and uses thereof 锐格药业公司 2025-02-11 — — CN disclosed
CN-115605463-B Inhibitors of receptor-interacting protein kinase I for the treatment of diseases 德州大学系统董事会 2024-08-09 — — CN disclosed
CN-117651707-A Novel synthetic TLR4 receptor agonists 米兰-比可卡大学 2024-03-05 — — CN disclosed
CN-115605463-A Inhibitors of receptor interacting protein kinase I for the treatment of diseases 德州大学系统董事会(US) 2023-01-13 — — CN disclosed
EP-4091450-A1 3,3-DIFLUORO-2-OXOINDOLINE DERIVATIVES USEFUL IN WEED CONTROL Syngenta Crop Protection AG (CH) 2022-11-23 — — EP disclosed
CN-114555585-A HPK1 inhibitors and uses thereof 上海齐鲁锐格医药研发有限公司 2022-05-27 — — CN disclosed
EP-3994133-A1 HPK1 INHIBITORS AND USES THEREOF Qilu Regor Therapeutics Inc. (CN) 2022-05-11 — — EP disclosed
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