SCHEMBL31580673

SCHEMBL31580673

CN(C)C1CCN(C(=O)c2ccc3[nH]nc(C#Cc4ccccc4-c4cccnc4)c3c2)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.46
DYRK1A Q13627 2/20 0.44
PDK2 Q15119 1/20 0.42
WNT1 P04628 1/20 0.42
TLR9 Q9NR96 3/20 0.41
TLR8 Q9NR97 3/20 0.41
TLR7 Q9NYK1 3/20 0.41
KDM1A O60341 1/20 0.40
JAK2 O60674 2/20 0.40
JAK1 P23458 2/20 0.40
TYK2 P29597 2/20 0.40
JAK3 P52333 2/20 0.40
ATR Q13535 2/20 0.39
HRH3 Q9Y5N1 3/20 0.38
TNIK Q9UKE5 1/20 0.38
ABL1 P00519 1/20 0.38
BCR P11274 1/20 0.38
GHSR Q92847 1/20 0.38
CCNC P24863 1/20 0.38
CDK8 P49336 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
SCHEMBL31580755 1.00 PDE4B (0.46) PDE4BDYRK1APDK2WNT1TLR9
SCHEMBL31580758 1.00 PDE4B (0.46) PDE4BDYRK1APDK2WNT1TLR9
SCHEMBL31580423 0.93 PDK2 (0.45) PDE4BPDK2TLR9TLR8TLR7
SCHEMBL31580715 0.93 PDK2 (0.45) PDE4BPDK2TLR9TLR8TLR7
SCHEMBL31580729 0.93 PDK2 (0.45) PDE4BPDK2TLR9TLR8TLR7
SCHEMBL31580870 0.92 PDK2 (0.44) PDE4BPDK2TLR9TLR8TLR7
SCHEMBL31580594 0.92 PDK2 (0.44) PDE4BPDK2TLR9TLR8TLR7
SCHEMBL31580792 0.92 PDK2 (0.44) PDE4BPDK2TLR9TLR8TLR7
SCHEMBL31580633 0.85 PDE4B (0.46) PDE4BPDK2TLR9TLR8TLR7
SCHEMBL31580783 0.85 JAK2 (0.47) PDE4BPDK2TLR9TLR8TLR7

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