SCHEMBL28489482

SCHEMBL28489482

COc1cc(Nc2ncc(F)c(Nc3ccc4c(n3)N(CP(=O)(O)O)C(=O)C(C)(C)O4)n2)cc(OC)c1OC

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 13/20 0.84
▸ PTK2 Q05397 4/20 0.84
▸ PLK4 O00444 2/20 0.84
▸ AURKA O14965 2/20 0.84
▸ STK16 O75716 2/20 0.84
▸ RET P07949 2/20 0.84
▸ FLT3 P36888 2/20 0.84
▸ MAPK8 P45983 2/20 0.84
▸ MAPK9 P45984 2/20 0.84
▸ MST1R Q04912 2/20 0.84
▸ TNK1 Q13470 2/20 0.84
▸ IKBKE Q14164 2/20 0.84
▸ MAP3K11 Q16584 2/20 0.84
▸ ADCK1 Q86TW2 2/20 0.84
▸ PIP4K2C Q8TBX8 2/20 0.84
▸ NEK9 Q8TD19 2/20 0.84
▸ AURKB Q96GD4 2/20 0.84
▸ IRAK3 Q9Y616 2/20 0.84
▸ LATS1 O95835 1/20 0.84
▸ BRDT Q58F21 1/20 0.84

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
Water SCHEMBL29088767 0.99 SYK (0.82) SYKPTK2PLK4AURKASTK16
SCHEMBL16858283 0.93 SYK (0.82) SYKPTK2PLK4AURKASTK16
Water SCHEMBL28356634 0.91 SYK (0.85) SYKPTK2PLK4AURKASTK16
Fostamatinib SCHEMBL29351337 0.91 SYK (1.00) SYKPTK2PLK4AURKASTK16
Fostamatinib SCHEMBL1201371 0.91 SYK (1.00) SYKPTK2PLK4AURKASTK16
SCHEMBL4108129 0.91 SYK (0.81) SYKPTK2PLK4AURKASTK16
SCHEMBL13451994 0.91 SYK (0.91) SYKPTK2PLK4AURKASTK16
Fostamatinib SCHEMBL22164570 0.91 SYK (0.99) SYKPTK2PLK4AURKASTK16
Fostamatinib SCHEMBL16820327 0.91 SYK (0.99) SYKPTK2PLK4AURKASTK16
SCHEMBL16682499 0.90 SYK (0.80) SYKPTK2PLK4AURKASTK16

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118234496-A Improved treatment of advanced/metastatic cancers with checkpoint inhibitor resistance or drug resistance susceptibility 海南先声再明医药股份有限公司 2024-06-21 — — CN disclosed
CN-117940133-A Therapeutic agents for degradation of mutant BRAF C4医药公司 2024-04-26 — — CN disclosed
CN-117720516-A Advantageous crystalline forms of selective BRD9 degrading agents C4医药公司 2024-03-19 — — CN disclosed
CN-117562905-A Maintenance of immune response during chemotherapy regimen G1治疗公司 2024-02-20 — — CN disclosed
CN-117530948-A Maintenance of immune response during chemotherapy regimen G1治疗公司 2024-02-09 — — CN disclosed
CN-117440813-A EGFR degrading agents for treating brain or CNS cancer metastasis C4医药公司 2024-01-23 — — CN disclosed
CN-116194438-A Advantageous treatment of Ikaros or Aiolos mediated disorders C4医药公司 2023-05-30 — — CN disclosed
CN-115806547-A Selected compounds for targeted degradation of BRD9 C4医药公司 2023-03-17 — — CN disclosed
CN-115768419-A Improved methods and compositions for the treatment of prodrugs of chromanccalin 奎拉里斯生物公司 2023-03-07 — — CN disclosed
CN-108699024-B Benzothienyl selective estrogen receptor down-regulator compounds 伊利诺伊大学评议会 2022-03-11 — — CN disclosed
CN-108495628-B Benzothienyl selective estrogen receptor down-modulators 伊利诺伊大学评议会 2022-01-11 — — CN disclosed
CN-111837146-A Excellent dosage regimen for G1T38 G1治疗公司 2020-10-27 — — CN disclosed
Send feedback