SCHEMBL31361282

SCHEMBL31361282

COC1CN(Cc2ccc(N)nn2)C1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.38
CD274 Q9NZQ7 11/20 0.36
PDCD1 Q15116 10/20 0.36
PDCD1LG2 Q9BQ51 1/20 0.36
BRD4 O60885 1/20 0.35
EGLN2 Q96KS0 1/20 0.35
TLR7 Q9NYK1 2/20 0.34
KCNH2 Q12809 1/20 0.33
MCHR1 Q99705 1/20 0.33
FGFR1 P11362 1/20 0.32
PIK3CA P42336 1/20 0.31
MTOR P42345 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
SCHEMBL31361199 0.81 CD274 (0.44) LTA4HCD274PDCD1PDCD1LG2BRD4
SCHEMBL31416747 0.79 RPS6KB1 (0.34) CD274PDCD1PDCD1LG2
SCHEMBL17403601 0.77 CD274 (0.41) LTA4HCD274PDCD1PDCD1LG2EGLN2
SCHEMBL25747431 0.75 CD274 (0.37) CD274PDCD1PDCD1LG2EGLN2KCNH2
SCHEMBL24046980 0.75 CD274 (0.37) CD274PDCD1PDCD1LG2EGLN2KCNH2
SCHEMBL610614 0.74 LTA4H (0.43) LTA4HCD274PDCD1BRD4EGLN2
SCHEMBL16132160 0.72 CD274 (0.43) LTA4HCD274PDCD1PDCD1LG2BRD4
SCHEMBL25747414 0.71 SLC16A3 (0.44) CD274PDCD1LG2KCNH2MCHR1
SCHEMBL20332369 0.70 MAP4K4 (0.38) LTA4HKCNH2
SCHEMBL18291540 0.69 CXCR4 (0.46)

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
EP-4746965-A1 BENZIMIDAZOLES AS SIK-ACTIVITY MODULATORS F. Hoffmann-La Roche AG (CH) 2026-05-27 EP disclosed
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-2025017041-A1 BENZIMIDAZOLES AS SIK-ACTIVITY MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2025-01-23 WO disclosed
WO-2025017078-A1 NEW PYRAZOLOPYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2025-01-23 WO disclosed