SCHEMBL31581725

SCHEMBL31581725

CCn1nc(Br)c2cc(Cl)ncc21

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 3/20 0.42
▸ ADORA2B P29275 3/20 0.42
▸ ESR1 P03372 1/20 0.33
▸ PDE4D Q08499 1/20 0.32
▸ LMNA P02545 1/20 0.31
▸ PTGDR2 Q9Y5Y4 1/20 0.31
▸ KDM4C Q9H3R0 1/20 0.30

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
SCHEMBL20225788 0.81 ADORA2A (0.39) ADORA2AADORA2BESR1LMNAPTGDR2
SCHEMBL31581417 0.78 CHRM4 (0.36) ADORA2AADORA2BPTGDR2
SCHEMBL21055191 0.77 DGAT1 (0.36) —
SCHEMBL20225789 0.71 MAP3K5 (0.39) PTGDR2
SCHEMBL11147216 0.69 ADORA2A (0.43) ADORA2AADORA2BESR1LMNA
SCHEMBL31633155 0.68 ADORA2A (0.37) ADORA2AADORA2B
SCHEMBL28138753 0.67 ADORA2A (0.44) ADORA2AADORA2BESR1PDE4D
SCHEMBL21055380 0.66 DGAT1 (0.36) PDE4D
SCHEMBL19779590 0.66 MAP3K5 (0.38) PDE4DPTGDR2
SCHEMBL25461532 0.65 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025106633-A1 TYK2 INHIBITORS BIOGEN MA INC. (US) 2025-05-22 — — WO disclosed
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