SCHEMBL24866922

SCHEMBL24866922

Cc1cnccc1Nc1cnc(NC2CCC3(CC2)CC3)nc1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.36
▸ AOC3 Q16853 3/20 0.36
▸ JAK2 O60674 7/20 0.34
▸ JAK1 P23458 7/20 0.34
▸ PTGS1 P23219 3/20 0.34
▸ AURKA O14965 1/20 0.33
▸ TYK2 P29597 1/20 0.33
▸ FLT3 P36888 1/20 0.33
▸ JAK3 P52333 1/20 0.33
▸ CCNA2 P20248 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ PTGS2 P35354 2/20 0.33
▸ ULK1 O75385 1/20 0.33
▸ 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
SCHEMBL24866931 0.90 AOC3 (0.38) MAPK1AOC3PTGS1CCNA2CDK2
SCHEMBL24867263 0.84 MAPK1 (0.56) MAPK1AOC3MAPK3PIK3CDPIK3C3
SCHEMBL24867261 0.83 MAP4K1 (0.42) AOC3AURKACCNA2CDK2
SCHEMBL24867267 0.82 DYRK1A (0.41) MAPK1AOC3ULK1MAPK3
SCHEMBL24866920 0.82 FLT3 (0.39) MAPK1AOC3FLT3ULK1IDH1
SCHEMBL24867264 0.79 AOC3 (0.36) MAPK1AOC3PTGS1ULK1
SCHEMBL24867273 0.79 AOC3 (0.36) MAPK1AOC3PTGS1ULK1
SCHEMBL24867265 0.78 ROCK2 (0.53) AOC3
SCHEMBL24866932 0.73 FLT3 (0.38) MAPK1AOC3FLT3IDH1PIK3CD
SCHEMBL24866850 0.72 MAP4K1 (0.45) PTGS1CCNA2CDK2PTGS2

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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