SCHEMBL28564192

SCHEMBL28564192

Nc1ccncc1NC1CCCC1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ AOC1 P19801 4/20 0.62
▸ AOC3 Q16853 3/20 0.62
▸ KDM4E B2RXH2 1/20 0.56
▸ GAA P10253 1/20 0.56
▸ MAPT P10636 1/20 0.56
▸ PTGS1 P23219 6/20 0.55
▸ PTGS2 P35354 5/20 0.52
▸ MEN1 O00255 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ ULK1 O75385 1/20 0.47
▸ LATS1 O95835 2/20 0.47
▸ LATS2 Q9NRM7 2/20 0.47
▸ ROCK2 O75116 1/20 0.42
▸ ROCK1 Q13464 1/20 0.42
▸ BRS3 P32247 1/20 0.41
▸ PRKCZ Q05513 1/20 0.41
▸ PRKD2 Q9BZL6 1/20 0.41

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
SCHEMBL28577780 0.98 AOC1 (0.61) AOC1AOC3KDM4EGAAMAPT
SCHEMBL7088289 0.93 AOC1 (0.58) AOC1AOC3KDM4EGAAMAPT
SCHEMBL13742816 0.85 AOC1 (0.48) AOC1AOC3KDM4EGAAMAPT
SCHEMBL21093546 0.84 KDM4E (0.59) AOC1AOC3KDM4EGAAMAPT
SCHEMBL16054255 0.84 KDM4E (0.59) AOC1AOC3KDM4EGAAMAPT
SCHEMBL19851080 0.84 KDM4E (0.59) AOC1AOC3KDM4EGAAMAPT
SCHEMBL31389919 0.79 AOC1 (0.42) AOC1AOC3KDM4EGAAMAPT
SCHEMBL29539060 0.78 AOC1 (0.54) AOC1AOC3KDM4EGAAMAPT
SCHEMBL5958407 0.78 AOC1 (0.54) AOC1AOC3KDM4EGAAMAPT
SCHEMBL17377190 0.77 AOC1 (0.57) AOC1AOC3KDM4EGAAMAPT

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-108373476-B Kinase inhibitor and preparation and application thereof 成都地奥制药集团有限公司 2021-06-01 — — CN disclosed
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