SCHEMBL24867261

SCHEMBL24867261

Cc1cnccc1Nc1cnc(NC2CCN(C)CC2)nc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 2/20 0.42
▸ SSTR4 P31391 1/20 0.42
▸ BRD4 O60885 2/20 0.42
▸ IDH2 P48735 1/20 0.41
▸ IKBKB O14920 1/20 0.40
▸ CDK1 P06493 3/20 0.40
▸ CDK4 P11802 2/20 0.40
▸ CCNB1 P14635 2/20 0.40
▸ CCNA2 P20248 2/20 0.40
▸ CCND1 P24385 2/20 0.40
▸ CDK2 P24941 2/20 0.40
▸ CCNA1 P78396 2/20 0.40
▸ LCK P06239 1/20 0.40
▸ MAPK14 Q16539 1/20 0.40
▸ BCL6 P41182 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ ATAD2 Q6PL18 1/20 0.38
▸ AURKA O14965 1/20 0.38
▸ AURKB Q96GD4 1/20 0.38

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
SCHEMBL24867265 0.85 ROCK2 (0.53) POLBAOC3
SCHEMBL24867263 0.84 MAPK1 (0.56) HDAC1AOC3
SCHEMBL24866922 0.83 MAPK1 (0.36) CCNA2CDK2AURKAAOC3
SCHEMBL24866931 0.83 AOC3 (0.38) CDK4CCNA2CDK2AOC3
SCHEMBL24867267 0.82 DYRK1A (0.41) RETAOC3
SCHEMBL24867273 0.79 AOC3 (0.36) AOC3
SCHEMBL24867264 0.79 AOC3 (0.36) AOC3
SCHEMBL26830431 0.74 MAPK1 (0.62) BRD4IKBKBCDK1CDK4CCNB1
SCHEMBL24866850 0.72 MAP4K1 (0.45) MAP4K1BRD4CCNA2CDK2
SCHEMBL24866856 0.71 MAP4K1 (0.45) MAP4K1HTT

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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