SCHEMBL31219683

SCHEMBL31219683

CC1(C)C(=O)Nc2nc(C#C[Si](C)(C)C)ccc21

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MARK3 P27448 1/20 0.41
PDK2 Q15119 4/20 0.34
PDK4 Q16654 3/20 0.34
PDK1 Q15118 1/20 0.33
PDK3 Q15120 1/20 0.33

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
SCHEMBL18850849 0.72 MARK3 (0.44) MARK3PDK2PDK4PDK1PDK3
SCHEMBL31219658 0.70 MARK3 (0.43) MARK3PDK2PDK4PDK1PDK3
SCHEMBL15578826 0.70 MARK3 (0.43) MARK3PDK2PDK4PDK1PDK3
SCHEMBL31219860 0.70 PDK2 (0.45) PDK2PDK4
SCHEMBL23097108 0.68 PDK2 (0.47) MARK3PDK2PDK4PDK1PDK3
SCHEMBL18850912 0.68 MARK3 (0.41) MARK3PDK2PDK4PDK1PDK3
SCHEMBL6861227 0.64 GRM5 (0.42)
SCHEMBL7714759 0.64 ADORA2A (0.36)
SCHEMBL31219981 0.62 PGR (0.40) PDK2PDK4
SCHEMBL13686002 0.61 PDK2 (0.41) MARK3PDK2PDK4PDK1PDK3

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
EP-4713096-A1 CDK INHIBITOR COMPOUNDS Aleksia Therapeutics, Inc. (US) 2026-03-25 EP disclosed
WO-2024238574-A1 CDK INHIBITOR COMPOUNDS ALEKSIA THERAPEUTICS, INC. (US) 2024-11-21 WO disclosed