SCHEMBL31533249

SCHEMBL31533249

Cc1cc(C=O)cnc1N1CCC(CN(C)C)CC1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MELK Q14680 14/20 0.37
OPRK1 P41145 1/20 0.34
ALDH1A3 P47895 2/20 0.34
ALDH1A1 P00352 1/20 0.34
AOC3 Q16853 1/20 0.34
IRAK1 P51617 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33

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
SCHEMBL25252014 1.00 MELK (0.37) MELKOPRK1ALDH1A3ALDH1A1AOC3
SCHEMBL25211358 0.88 EGFR (0.35) OPRK1ALDH1A3ALDH1A1AOC3
SCHEMBL25215056 0.88 SMN1; SMN2 (0.39) OPRK1ALDH1A3ALDH1A1AOC3
SCHEMBL25244803 0.87 AOC3 (0.39) MELKOPRK1AOC3
SCHEMBL31533250 0.84 OPRK1 (0.38) OPRK1ALDH1A3ALDH1A1AOC3
SCHEMBL25262043 0.84 OPRK1 (0.38) OPRK1ALDH1A3ALDH1A1AOC3
SCHEMBL30376152 0.81 AOC3 (0.36) OPRK1AOC3
SCHEMBL25241176 0.81 AOC3 (0.36) OPRK1AOC3
SCHEMBL29287745 0.81 ALDH1A3 (0.37) OPRK1ALDH1A3ALDH1A1AOC3
SCHEMBL22322258 0.81 SIRT2 (0.43) MELKOPRK1ALDH1A3ALDH1A1

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
CN-113423708-B Imidazo [2,1-F ] [1,2,4] triazin-4-amine derivatives as TLR7 agonists 百济神州有限公司 2025-04-22 CN disclosed