SCHEMBL31416767

SCHEMBL31416767

c1cnnc(CN2CC3(COC3)C2)c1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 1/20 0.36
KCNH2 Q12809 2/20 0.33
MCHR1 Q99705 2/20 0.33
EGLN1 Q9GZT9 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.32
IKZF2 Q9UKS7 1/20 0.32
PDCD1 Q15116 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
KCNK13 Q9HB14 3/20 0.32
GRIN1 Q05586 4/20 0.32
GRIN2B Q13224 4/20 0.32
DYRK1A Q13627 1/20 0.32
TLR8 Q9NR97 1/20 0.31
TLR7 Q9NYK1 1/20 0.31
BRD4 O60885 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
CTDSP1 Q9GZU7 1/20 0.31

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
SCHEMBL30212381 0.79 GRIN2B (0.36) EGLN1CYP1A2IKZF2KCNK13GRIN1
SCHEMBL31679362 0.76 CXCR4 (0.44) CXCR4EGLN1CYP1A2IKZF2
SCHEMBL17288868 0.76 CXCR4 (0.44) CXCR4EGLN1CYP1A2IKZF2
SCHEMBL31416849 0.75 ALDH1A1 (0.40) KCNH2MCHR1CYP1A2CYP2D6PDCD1
SCHEMBL31416731 0.75 TLR8 (0.38) KCNH2MCHR1TLR8TLR7HRH3
SCHEMBL30080477 0.74 CXCR4 (0.49) CXCR4KCNH2MCHR1PDCD1CD274
SCHEMBL29740974 0.70 PDCD1 (0.35) CXCR4CYP1A2CYP2D6PDCD1CD274
SCHEMBL24984263 0.69 CXCR4 (0.54) CXCR4HRH3
SCHEMBL30212236 0.69 GRIN2B (0.37) EGLN1CYP1A2IKZF2CD274KCNK13
SCHEMBL24046712 0.69 CYP11B1 (0.34) KCNH2MCHR1TLR8TLR7HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4746964-A1 NEW PYRAZOLOPYRIDINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2026-05-27 EP disclosed
WO-2026046976-A1 PYRAZOLOPYRIDINE PHOSPHATE ESTERS FOR MODULATING SALT-INDUCIBLE KINASE (SIK) F. HOFFMANN-LA ROCHE AG (CH) 2026-03-05 WO disclosed
WO-2025017078-A1 NEW PYRAZOLOPYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2025-01-23 WO disclosed