SCHEMBL31219609

SCHEMBL31219609

CC(C)S(=O)(=NC(=O)OC(C)(C)C)c1ccc(Nc2cc3cnccc3cn2)cc1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 3/20 0.37
▸ IRAK4 Q9NWZ3 2/20 0.37
▸ GSK3B P49841 1/20 0.35
▸ DYRK1A Q13627 1/20 0.35
▸ CDK1 P06493 2/20 0.34
▸ CDK2 P24941 2/20 0.34
▸ KDR P35968 2/20 0.34
▸ BRAF P15056 3/20 0.33
▸ TTK P33981 1/20 0.33
▸ RORC P51449 2/20 0.33
▸ FYN P06241 1/20 0.33
▸ NAMPT P43490 2/20 0.33
▸ F7 P08709 1/20 0.32
▸ F3 P13726 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
SCHEMBL31219821 0.81 TTK (0.38) ABL1IRAK4CDK1CDK2KDR
SCHEMBL31219559 0.74 FYN (0.50) GSK3BCDK1CDK2FYN
SCHEMBL38662801 0.69 CDK2 (0.36) CDK1CDK2KDRTTKFYN
SCHEMBL31219689 0.69 CDK2 (0.35) GSK3BCDK1CDK2KDRFYN
SCHEMBL31577344 0.68 BRD4 (0.30) CDK1CDK2KDR
SCHEMBL31219766 0.67 CDK1 (0.38) GSK3BCDK1CDK2KDRNAMPT
SCHEMBL30381667 0.67 DYRK1A (0.54) ABL1GSK3BDYRK1ANAMPT
SCHEMBL15318358 0.64 NR3C1 (0.48) F7F3
SCHEMBL30097039 0.62 NAMPT (0.45) DYRK1ANAMPT
SCHEMBL26143921 0.62 NAMPT (0.45) DYRK1ANAMPT

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
Send feedback