SCHEMBL31434409

SCHEMBL31434409

[2H]c1ccc(C=C2C(=O)Nc3ccccc32)o1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KA3 P51812 2/20 0.74
DYRK1A Q13627 1/20 0.58
MEN1 O00255 1/20 0.58
ALDH1A1 P00352 1/20 0.58
LMNA P02545 1/20 0.58
POLB P06746 1/20 0.58
THRB P10828 1/20 0.58
ALOX12 P18054 1/20 0.58
KMT2A Q03164 1/20 0.58
KDR P35968 4/20 0.51
RET P07949 3/20 0.51
FLT3 P36888 3/20 0.51
PDGFRB P09619 3/20 0.51
PLK4 O00444 2/20 0.51
PLK1 P53350 2/20 0.51
JAK3 P52333 2/20 0.51
CDK5 Q00535 2/20 0.51
TLK2 Q86UE8 2/20 0.51
SYK P43405 1/20 0.51
ATM Q13315 1/20 0.51

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
SCHEMBL20838 0.85 RPS6KA3 (1.00) RPS6KA3DYRK1AMEN1ALDH1A1LMNA
SCHEMBL20839 0.85 RPS6KA3 (1.00) RPS6KA3DYRK1AMEN1ALDH1A1LMNA
SCHEMBL905690 0.85 RPS6KA3 (1.00) RPS6KA3DYRK1AMEN1ALDH1A1LMNA
SCHEMBL1305325 0.80 POLB (0.80) RPS6KA3DYRK1AMEN1ALDH1A1LMNA
SCHEMBL1305323 0.80 POLB (0.80) RPS6KA3DYRK1AMEN1ALDH1A1LMNA
SCHEMBL6001158 0.78 RPS6KA3 (0.63) RPS6KA3DYRK1AMEN1ALDH1A1LMNA
SCHEMBL6001160 0.78 RPS6KA3 (0.63) RPS6KA3DYRK1AMEN1ALDH1A1LMNA
SCHEMBL14448922 0.74 RPS6KA3 (0.62) RPS6KA3DYRK1AMEN1ALDH1A1LMNA
SCHEMBL701968 0.73 POLB (0.70) RPS6KA3DYRK1AMEN1ALDH1A1LMNA
SCHEMBL6001779 0.73 POLB (0.70) RPS6KA3DYRK1AMEN1ALDH1A1LMNA

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-2025085819-A1 KINASE INHIBITOR COMPOSITIONS AND RELATED METHODS FOR THE TREATMENT OF A DISEASE WASHINGTON UNIVERSITY (US) 2025-04-24 WO disclosed