SCHEMBL31477708

SCHEMBL31477708

N[C@H](c1ccccc1F)[C@@H]1Nc2ncccc2NC1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 4/20 0.40
TNKS2 Q9H2K2 2/20 0.38
CYP1A2 P05177 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 2/20 0.35
HPGD P15428 2/20 0.35
IDO1 P14902 3/20 0.33
AKT1 P31749 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
TDO2 P48775 1/20 0.32
MEN1 O00255 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
KMT2A Q03164 1/20 0.32
CCKAR P32238 1/20 0.31
CCKBR P32239 1/20 0.31
BRPF1 P55201 1/20 0.31

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
SCHEMBL31477131 1.00 GSK3B (0.40) GSK3BTNKS2CYP1A2SMN1; SMN2ALDH1A1
SCHEMBL31477285 0.82 GSK3B (0.43) GSK3BTNKS2CYP1A2SMN1; SMN2ALDH1A1
SCHEMBL31477058 0.82 GSK3B (0.43) GSK3BTNKS2CYP1A2SMN1; SMN2ALDH1A1
SCHEMBL31477218 0.82 GSK3B (0.43) GSK3BTNKS2CYP1A2SMN1; SMN2ALDH1A1
SCHEMBL31477191 0.82 GSK3B (0.43) GSK3BTNKS2CYP1A2SMN1; SMN2ALDH1A1
SCHEMBL31477193 0.79 GSK3B (0.39) GSK3BCYP1A2SMN1; SMN2ALDH1A1KDM4E
SCHEMBL31503084 0.77 GSK3B (0.36) GSK3BTNKS2CYP1A2SMN1; SMN2ALDH1A1
SCHEMBL31477533 0.75 TNKS2 (0.34) GSK3BTNKS2AKT1
SCHEMBL31477284 0.75 TNKS2 (0.34) GSK3BTNKS2AKT1
SCHEMBL31477607 0.75 TNKS2 (0.34) GSK3BTNKS2AKT1

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-2025085564-A1 LYSINE ACETYLTRANSFERASE INHIBITORS Kronos Bio, Inc. (US) 2025-04-24 WO disclosed
WO-2025085554-A1 LYSINE ACETYLTRANSFERASE INHIBITORS Kronos Bio, Inc. (US) 2025-04-24 WO disclosed