SCHEMBL24867273

SCHEMBL24867273

Cc1cnccc1Nc1cnc(N[C@H]2CC[C@H](OC(C)C)CC2)nc1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ AOC3 Q16853 3/20 0.36
▸ LRRK2 Q5S007 2/20 0.35
▸ PIM1 P11309 1/20 0.34
▸ CDK7 P50613 2/20 0.33
▸ CDK9 P50750 2/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ DEGS1 O15121 1/20 0.33
▸ ULK1 O75385 2/20 0.33
▸ MAPK8 P45983 1/20 0.32
▸ MAPK9 P45984 1/20 0.32
▸ SYK P43405 2/20 0.32
▸ BTK Q06187 1/20 0.32
▸ ULK2 Q8IYT8 1/20 0.32
▸ ACACB O00763 2/20 0.32
▸ PTGS1 P23219 1/20 0.32
▸ DYRK1A Q13627 1/20 0.32

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 1.00 AOC3 (0.36) AOC3LRRK2PIM1CDK7CDK9
SCHEMBL24867267 0.87 DYRK1A (0.41) AOC3MAPK1ULK1MAPK8MAPK9
SCHEMBL24866919 0.85 FLT3 (0.38) AOC3LRRK2PIM1MAPK1DEGS1
SCHEMBL24867263 0.80 MAPK1 (0.56) AOC3MAPK1MAPK8MAPK9
SCHEMBL24866922 0.79 MAPK1 (0.36) AOC3MAPK1ULK1PTGS1
SCHEMBL24866931 0.79 AOC3 (0.38) AOC3MAPK1ULK1MAPK8MAPK9
SCHEMBL24867261 0.79 MAP4K1 (0.42) AOC3
SCHEMBL24867265 0.79 ROCK2 (0.53) AOC3DYRK1A
SCHEMBL24867275 0.71 MAPK8 (0.41) MAPK8MAPK9DYRK1A
SCHEMBL24866850 0.68 MAP4K1 (0.45) SYKBTKPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023283488-A9 CDK19-SELECTIVE INHIBITORS, AND METHODS OF USE THEREOF CZ BIOHUB SF, LLC (US) 2023-05-25 — — WO disclosed
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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