SCHEMBL24867267

SCHEMBL24867267

CO[C@H]1CC[C@H](Nc2ncc(Nc3ccncc3C)cn2)CC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 1/20 0.41
▸ MAPK3 P27361 1/20 0.39
▸ RET P07949 1/20 0.39
▸ MAPK8 P45983 11/20 0.38
▸ MAPK9 P45984 4/20 0.38
▸ MKNK1 Q9BUB5 1/20 0.38
▸ MKNK2 Q9HBH9 1/20 0.38
▸ AOC3 Q16853 1/20 0.38
▸ GBA1 P04062 1/20 0.38
▸ PRKCQ Q04759 1/20 0.37
▸ PRKCD Q05655 1/20 0.37
▸ ULK1 O75385 1/20 0.35
▸ ULK2 Q8IYT8 1/20 0.35
▸ MAPK1 P28482 1/20 0.35

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
SCHEMBL24867264 0.87 AOC3 (0.36) DYRK1AMAPK8MAPK9AOC3ULK1
SCHEMBL24867273 0.87 AOC3 (0.36) DYRK1AMAPK8MAPK9AOC3ULK1
SCHEMBL24867275 0.84 MAPK8 (0.41) DYRK1AMAPK3RETMAPK8MAPK9
SCHEMBL24867263 0.83 MAPK1 (0.56) MAPK3MAPK8MAPK9MKNK1AOC3
SCHEMBL24866922 0.82 MAPK1 (0.36) MAPK3AOC3ULK1MAPK1
SCHEMBL24867261 0.82 MAP4K1 (0.42) RETAOC3
SCHEMBL24866931 0.82 AOC3 (0.38) MAPK3MAPK8MAPK9AOC3GBA1
SCHEMBL24867265 0.77 ROCK2 (0.53) DYRK1AAOC3
SCHEMBL28314223 0.71 KDM4E (0.58) RETMAPK8MAPK9MKNK1MKNK2
SCHEMBL24866919 0.71 FLT3 (0.38) MAPK8MAPK9AOC3MAPK1

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-2023283488-A2 CDK19-SELECTIVE INHIBITORS, AND METHODS OF USE THEREOF CHAN ZUCKERBERG BIOHUB, INC. (US) 2023-01-12 — — WO disclosed
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