SCHEMBL31580723

SCHEMBL31580723

CN(C)C1CCN(C(=O)c2ccc3[nH]nc(C#Cc4ccccc4F)c3c2)C1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.46
PDK2 Q15119 1/20 0.45
TLR9 Q9NR96 3/20 0.43
TLR8 Q9NR97 3/20 0.43
TLR7 Q9NYK1 3/20 0.43
ATR Q13535 2/20 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
CCNC P24863 1/20 0.41
CDK8 P49336 1/20 0.41
GRM5 P41594 3/20 0.40
HRH3 Q9Y5N1 2/20 0.40
HTR7 P34969 1/20 0.40
KDM1A O60341 1/20 0.40
L3MBTL3 Q96JM7 1/20 0.39
DDR1 Q08345 1/20 0.39
KDM5A P29375 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
SCHEMBL31580633 1.00 PDE4B (0.46) PDE4BPDK2TLR9TLR8TLR7
SCHEMBL31580609 1.00 PDE4B (0.46) PDE4BPDK2TLR9TLR8TLR7
SCHEMBL31580783 0.90 JAK2 (0.47) PDE4BPDK2TLR9TLR8TLR7
SCHEMBL31580718 0.90 JAK2 (0.47) PDE4BPDK2TLR9TLR8TLR7
SCHEMBL31580565 0.90 JAK2 (0.47) PDE4BPDK2TLR9TLR8TLR7
SCHEMBL31580715 0.88 PDK2 (0.45) PDE4BPDK2TLR9TLR8TLR7
SCHEMBL31580729 0.88 PDK2 (0.45) PDE4BPDK2TLR9TLR8TLR7
SCHEMBL31580423 0.88 PDK2 (0.45) PDE4BPDK2TLR9TLR8TLR7
SCHEMBL31580763 0.88 PDK2 (0.45) PDK2TLR9TLR8TLR7ATR
SCHEMBL31580862 0.88 PDK2 (0.45) PDK2TLR9TLR8TLR7ATR

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