SCHEMBL24866931

SCHEMBL24866931

Cc1cnccc1Nc1cnc(NC2CCC(C)(C)CC2)nc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AOC3 Q16853 3/20 0.38
▸ GBA1 P04062 1/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ PTGS1 P23219 3/20 0.34
▸ CDK4 P11802 1/20 0.34
▸ CCNA2 P20248 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ IRAK4 Q9NWZ3 1/20 0.33
▸ PTGS2 P35354 2/20 0.33
▸ ULK1 O75385 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPK8 P45983 1/20 0.32
▸ MAPK9 P45984 1/20 0.32
▸ MAPK10 P53779 1/20 0.32
▸ MAPK3 P27361 1/20 0.32
▸ IDH1 O75874 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ PIK3CD O00329 1/20 0.31
▸ PIK3C3 Q8NEB9 1/20 0.31

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
SCHEMBL24866922 0.90 MAPK1 (0.36) AOC3MAPK1PTGS1CCNA2CDK2
SCHEMBL24867263 0.84 MAPK1 (0.56) AOC3MAPK1MAPK8MAPK9MAPK10
SCHEMBL24866932 0.83 FLT3 (0.38) AOC3GBA1MAPK1CDK4ALDH1A1
SCHEMBL24867261 0.83 MAP4K1 (0.42) AOC3CDK4CCNA2CDK2
SCHEMBL24867267 0.82 DYRK1A (0.41) AOC3GBA1MAPK1ULK1MAPK8
SCHEMBL24867264 0.79 AOC3 (0.36) AOC3MAPK1PTGS1ULK1MAPK8
SCHEMBL24867273 0.79 AOC3 (0.36) AOC3MAPK1PTGS1ULK1MAPK8
SCHEMBL24867265 0.78 ROCK2 (0.53) AOC3
SCHEMBL24866850 0.72 MAP4K1 (0.45) PTGS1CCNA2CDK2PTGS2KCNH2
SCHEMBL24866920 0.71 FLT3 (0.39) AOC3MAPK1IRAK4ULK1IDH1

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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