SCHEMBL30731668

SCHEMBL30731668

COc1nc(N)c(F)cc1OCCF

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 7/20 0.38
▸ HTR2C P28335 5/20 0.38
▸ HTR2B P41595 5/20 0.38
▸ CYBB P04839 1/20 0.35
▸ NCF1 P14598 1/20 0.35
▸ PIK3CA P42336 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ DHPS P49366 1/20 0.34
▸ LRRK2 Q5S007 1/20 0.34
▸ P2RX3 P56373 1/20 0.34
▸ P2RX2 Q9UBL9 1/20 0.34
▸ DCK P27707 4/20 0.34
▸ PDE10A Q9Y233 3/20 0.34
▸ PDE3B Q13370 1/20 0.34
▸ PDE3A Q14432 1/20 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
SCHEMBL26977593 1.00 HTR2A (0.38) HTR2AHTR2CHTR2BCYBBNCF1
SCHEMBL29778792 0.82 CYBB (0.35) HTR2ACYBBNCF1PIK3CADHPS
SCHEMBL23641394 0.82 CYBB (0.35) HTR2ACYBBNCF1PIK3CADHPS
SCHEMBL34470794 0.81 HTR2A (0.35) HTR2AHTR2CHTR2BPIK3CAHDAC1
SCHEMBL20354807 0.80 HTR2A (0.42) HTR2AHTR2CHTR2BCYBBNCF1
SCHEMBL29903816 0.80 HTR2A (0.42) HTR2AHTR2CHTR2BCYBBNCF1
SCHEMBL21608777 0.80 P2RX3 (0.36) HTR2APIK3CAP2RX3P2RX2
SCHEMBL30723514 0.80 P2RX3 (0.36) HTR2APIK3CAP2RX3P2RX2
SCHEMBL26978045 0.74 NUDT1 (0.46) P2RX3P2RX2
SCHEMBL27038877 0.74 P2RX3 (0.35) PIK3CAP2RX3P2RX2PDE3BPDE3A

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
EP-4558498-A1 NOVEL IMIDAZOPYRIDINE AND PYRAZOLOPYRIDINE SULFONAMIDE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2025-05-28 — — EP disclosed
CN-119546608-A Novel imidazopyridine and pyrazolopyridine sulfonamide derivatives 豪夫迈·罗氏有限公司 2025-02-28 — — CN disclosed
CN-119546576-A Novel isoquinolinones pyrrolo-pyridones and thieno pyridone sulfonamide derivatives 豪夫迈·罗氏有限公司 2025-02-28 — — CN disclosed
WO-2024017857-A1 NOVEL IMIDAZOPYRIDINE AND PYRAZOLOPYRIDINE SULFONAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2024-01-25 — — WO disclosed
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