SCHEMBL31416784

SCHEMBL31416784

c1ccc(C(=Nc2ccc(CN3CC4(COC4)C3)nn2)c2ccccc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.34
MCHR1 Q99705 1/20 0.34
NTRK1 P04629 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 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
SCHEMBL31416733 0.84 MEN1 (0.30)
SCHEMBL31416778 0.77 FUCA1 (0.31)
SCHEMBL31416731 0.74 TLR8 (0.38) KCNH2MCHR1
SCHEMBL31416849 0.71 ALDH1A1 (0.40) KCNH2MCHR1CYP2D6
SCHEMBL29743579 0.70 SMN1; SMN2 (0.31)
SCHEMBL31416767 0.68 CXCR4 (0.36) KCNH2MCHR1CYP2D6
SCHEMBL31705681 0.67 ESR1 (0.34) CYP3A4CYP2D6
SCHEMBL24046712 0.65 CYP11B1 (0.34) KCNH2MCHR1
SCHEMBL30351050 0.65 LMNA (0.37) KCNH2MCHR1
SCHEMBL25746604 0.65 LMNA (0.37) KCNH2MCHR1

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