SCHEMBL31580729

SCHEMBL31580729

CN(C)[C@@H]1CCN(C(=O)c2ccc3[nH]nc(C#Cc4ccccc4-c4ccccc4)c3c2)C1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.45
PDE4B Q07343 1/20 0.45
KDM1A O60341 1/20 0.44
TLR9 Q9NR96 3/20 0.43
TLR8 Q9NR97 3/20 0.43
TLR7 Q9NYK1 3/20 0.43
HRH3 Q9Y5N1 5/20 0.42
JAK2 O60674 2/20 0.42
JAK1 P23458 2/20 0.42
TYK2 P29597 2/20 0.42
JAK3 P52333 2/20 0.42
ATR Q13535 3/20 0.41
CCNC P24863 1/20 0.40
CDK8 P49336 1/20 0.40
DDR1 Q08345 1/20 0.39
KDM5A P29375 1/20 0.39
TNIK Q9UKE5 1/20 0.39

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
SCHEMBL31580423 1.00 PDK2 (0.45) PDK2PDE4BKDM1ATLR9TLR8
SCHEMBL31580715 1.00 PDK2 (0.45) PDK2PDE4BKDM1ATLR9TLR8
SCHEMBL31580870 0.94 PDK2 (0.44) PDK2PDE4BKDM1ATLR9TLR8
SCHEMBL31580594 0.94 PDK2 (0.44) PDK2PDE4BKDM1ATLR9TLR8
SCHEMBL31580792 0.94 PDK2 (0.44) PDK2PDE4BKDM1ATLR9TLR8
SCHEMBL31580673 0.93 PDE4B (0.46) PDK2PDE4BKDM1ATLR9TLR8
SCHEMBL31580758 0.93 PDE4B (0.46) PDK2PDE4BKDM1ATLR9TLR8
SCHEMBL31580755 0.93 PDE4B (0.46) PDK2PDE4BKDM1ATLR9TLR8
SCHEMBL31580723 0.88 PDE4B (0.46) PDK2PDE4BKDM1ATLR9TLR8
SCHEMBL31580862 0.88 PDK2 (0.45) PDK2KDM1ATLR9TLR8TLR7

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-2025106722-A1 INHIBITORS OF STK33, RET, CLK, AND/OR RELATED KINASES AND METHODS USING SAME BAYLOR COLLEGE OF MEDICINE (US) 2025-05-22 WO claimed
WO-2025106722-A1 INHIBITORS OF STK33, RET, CLK, AND/OR RELATED KINASES AND METHODS USING SAME BAYLOR COLLEGE OF MEDICINE (US) 2025-05-22 WO disclosed