SCHEMBL31580764

SCHEMBL31580764

CN(C)C1CCN(C(=O)c2ccc3[nH]nc(C#Cc4c(Cl)cccc4Cl)c3c2)C1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.47
JAK1 P23458 2/20 0.47
TYK2 P29597 2/20 0.47
JAK3 P52333 2/20 0.47
CCNC P24863 1/20 0.46
CDK8 P49336 1/20 0.46
TLR9 Q9NR96 3/20 0.43
TLR8 Q9NR97 3/20 0.43
TLR7 Q9NYK1 3/20 0.43
PDK2 Q15119 1/20 0.41
HRH3 Q9Y5N1 5/20 0.41
L3MBTL3 Q96JM7 1/20 0.40
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
KDM1A O60341 1/20 0.39
BTK Q06187 1/20 0.39
PIK3CA P42336 2/20 0.38
MTOR P42345 2/20 0.38
MALT1 Q9UDY8 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
SCHEMBL31580954 1.00 JAK2 (0.47) JAK2JAK1TYK2JAK3CCNC
SCHEMBL31580389 1.00 JAK2 (0.47) JAK2JAK1TYK2JAK3CCNC
SCHEMBL31580565 0.90 JAK2 (0.47) JAK2JAK1TYK2JAK3CCNC
SCHEMBL31580783 0.90 JAK2 (0.47) JAK2JAK1TYK2JAK3CCNC
SCHEMBL31580718 0.90 JAK2 (0.47) JAK2JAK1TYK2JAK3CCNC
SCHEMBL31580763 0.86 PDK2 (0.45) JAK2JAK1TYK2JAK3CCNC
SCHEMBL31580862 0.86 PDK2 (0.45) JAK2JAK1TYK2JAK3CCNC
SCHEMBL31580750 0.86 PDK2 (0.45) JAK2JAK1TYK2JAK3CCNC
SCHEMBL31581116 0.85 TLR9 (0.44) JAK2JAK1TYK2JAK3CCNC
SCHEMBL31580646 0.84 TLR9 (0.46) JAK2JAK1TYK2JAK3CCNC

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