SCHEMBL29416616

SCHEMBL29416616

Fc1cc2ncnc(Cl)c2cc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.47
PDE4B Q07343 1/20 0.47
PDE4C Q08493 1/20 0.47
PDE4D Q08499 1/20 0.47
ENPP1 P22413 3/20 0.45
IRAK4 Q9NWZ3 1/20 0.39
DYRK1A Q13627 1/20 0.35
AXL P30530 1/20 0.35
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
EGFR P00533 4/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SELE P16581 1/20 0.34
VCAM1 P19320 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
KDR P35968 3/20 0.34

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
SCHEMBL1011889 1.00 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DENPP1
SCHEMBL30562904 0.84 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DENPP1
SCHEMBL21456839 0.84 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DENPP1
SCHEMBL2642415 0.84 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DENPP1
SCHEMBL2621720 0.84 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DENPP1
SCHEMBL28421484 0.84 MAP4K4 (0.41) PDE4APDE4BPDE4CPDE4DENPP1
SCHEMBL282157 0.84 ENPP1 (0.44) PDE4APDE4BPDE4CPDE4DENPP1
Hydrochloric Acid SCHEMBL3321635 0.83 PDE4A (0.40) PDE4APDE4BPDE4CPDE4DENPP1
SCHEMBL21664277 0.81 PDE4A (0.39) PDE4APDE4BPDE4CPDE4DENPP1
SCHEMBL24008957 0.80 ENPP1 (0.63) ENPP1EGFRKDRFLT4AURKA

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-111763214-B Preparation method of icotinib 苏州富士莱医药股份有限公司 2022-03-15 CN claimed
EP-4329755-A1 EXPANDED DOSAGE REGIMENS FOR INTEGRIN INHIBITORS Pliant Therapeutics, Inc. (US) 2024-03-06 EP disclosed
CN-117615760-A Extended dosage regimen for integrin inhibitors 普利安特治疗公司 2024-02-27 CN disclosed
CN-115989235-A Methods of treating respiratory diseases using amino acid compounds 普利安特治疗公司 2023-04-18 CN disclosed
EP-4146264-A1 TREATMENT OF RESPIRATORY DISEASES WITH AMINO ACID COMPOUNDS Pliant Therapeutics, Inc. (US) 2023-03-15 EP disclosed
WO-2022232838-A1 EXPANDED DOSAGE REGIMENS FOR INTEGRIN INHIBITORS PLIANT THERAPEUTICS, INC. (US) 2022-11-03 WO disclosed
CN-111763214-B Preparation method of icotinib 苏州富士莱医药股份有限公司 2022-03-15 CN disclosed
CN-111763214-B Preparation method of icotinib 苏州富士莱医药股份有限公司 2022-03-15 CN disclosed