SCHEMBL31479421

SCHEMBL31479421

CCN(C(=O)c1ccccc1-c1cc(N2CCCC(NC(=O)OC(C)(C)C)C2)nc2c1cnn2C)C(C)C

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BTK Q06187 3/20 0.43
JAK3 P52333 2/20 0.43
EGFR P00533 1/20 0.42
LCK P06239 1/20 0.42
AURKA O14965 3/20 0.42
PDPK1 O15530 3/20 0.42
AURKB Q96GD4 3/20 0.42
RET P07949 3/20 0.42
MAP4K4 O95819 2/20 0.41
ALOX5AP P20292 1/20 0.41
FEN1 P39748 1/20 0.41
PDE10A Q9Y233 1/20 0.40
DPP4 P27487 3/20 0.39
SYK P43405 1/20 0.39
KIF18A Q8NI77 1/20 0.38
CKS1B P61024 1/20 0.38
SKP1 P63208 1/20 0.38
SKP2 Q13309 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
SCHEMBL31478961 0.84 CKS1B (0.36) JAK3ALOX5APFEN1CKS1BSKP1
SCHEMBL31479568 0.84 CKS1B (0.41) BTKRETPDE10ASYKCKS1B
SCHEMBL31479559 0.84 IRAK4 (0.40) DPP4
SCHEMBL31479874 0.79 TRPV3 (0.40) JAK3ALOX5APFEN1
SCHEMBL31480038 0.78 RET (0.36) RET
SCHEMBL31479719 0.77 JAK3 (0.57) BTKJAK3EGFRLCKAURKA
SCHEMBL31479288 0.76 ENPP2 (0.36) BTKJAK3RETALOX5APFEN1
SCHEMBL31479079 0.74 CKS1B (0.36) RETCKS1BSKP1SKP2
SCHEMBL31479868 0.73 PDK4 (0.41) JAK3PDE10A
SCHEMBL31479357 0.72 KDM4E (0.38)

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025067111-A1 MENIN-MLL INTERACTION INHIBITOR AND PREPARATION METHOD THEREFOR, AND APPLICATION 苏州必扬医药科技有限公司 2025-04-03 WO disclosed