SCHEMBL29798952

SCHEMBL29798952

CNc1nc(C(F)(F)F)nc2c1ncn2Cc1ccccc1F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 10/20 1.00
PDE4B Q07343 10/20 1.00
PDE4C Q08493 10/20 1.00
PDE4D Q08499 10/20 1.00
PDE5A O76074 3/20 1.00
PDE1A P54750 3/20 1.00
PDE1B Q01064 3/20 1.00
PDE1C Q14123 3/20 1.00
PDE3B Q13370 3/20 0.66
PDE3A Q14432 3/20 0.66
YTHDC1 Q96MU7 7/20 0.62
AXL P30530 1/20 0.48
FLT3 P36888 1/20 0.48
MERTK Q12866 1/20 0.48

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
SCHEMBL185397 1.00 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL3141400 0.90 PDE4A (0.82) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL3141383 0.88 PDE4A (0.78) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL9738428 0.87 PDE4A (0.77) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL3146230 0.86 PDE4A (0.76) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL3133509 0.86 PDE4A (0.75) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL1321678 0.86 PDE4A (0.75) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL27993590 0.85 PDE4A (0.79) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL4460149 0.85 PDE4A (0.73) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL3133797 0.84 PDE4A (0.72) PDE4APDE4BPDE4CPDE4DPDE5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119325465-A Biphenyl substituted epithelial sodium channel blocking compounds 帕里昂科学公司 2025-01-17 CN disclosed
EP-4469441-A1 BIPHENYL-SUBSTITUTED EPITHELIAL SODIUM CHANNEL BLOCKING COMPOUNDS Parion Sciences, Inc. (US) 2024-12-04 EP disclosed
WO-2023146892-A1 BIPHENYL-SUBSTITUTED EPITHELIAL SODIUM CHANNEL BLOCKING COMPOUNDS PARION SCIENCES, INC. (US) 2023-08-03 WO disclosed
WO-2023146896-A1 BICYCLIC-SUBSTITUTED EPITHELIAL SODIUM CHANNEL BLOCKING COMPOUNDS PARION SCIENCES, INC. (US) 2023-08-03 WO disclosed
CN-110840847-B Pharmaceutical compositions for the treatment of cystic fibrosis transmembrane conductance regulator mediated diseases 沃泰克斯药物股份有限公司 2022-07-29 CN disclosed