SCHEMBL31477191

SCHEMBL31477191

N[C@@H](c1ccccc1)[C@@H]1Nc2ncccc2NC1=O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.39
CYP1A2 P05177 1/20 0.39
IDO1 P14902 4/20 0.36
TDO2 P48775 1/20 0.36
TNKS2 Q9H2K2 2/20 0.36
BRPF1 P55201 1/20 0.33
CREBBP Q92793 1/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KMT2A Q03164 1/20 0.32
HTR7 P34969 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
SCHEMBL31477058 1.00 GSK3B (0.43) GSK3BSMN1; SMN2CYP1A2IDO1TDO2
SCHEMBL31477285 1.00 GSK3B (0.43) GSK3BSMN1; SMN2CYP1A2IDO1TDO2
SCHEMBL31477218 1.00 GSK3B (0.43) GSK3BSMN1; SMN2CYP1A2IDO1TDO2
SCHEMBL31477193 0.85 GSK3B (0.39) GSK3BSMN1; SMN2CYP1A2ALDH1A1KDM4E
SCHEMBL31477093 0.84 GSK3B (0.43) GSK3BSMN1; SMN2CYP1A2IDO1TDO2
SCHEMBL31477131 0.82 GSK3B (0.40) GSK3BSMN1; SMN2CYP1A2IDO1TDO2
SCHEMBL31477708 0.82 GSK3B (0.40) GSK3BSMN1; SMN2CYP1A2IDO1TDO2
SCHEMBL30634595 0.74 GSK3B (0.48) GSK3BSMN1; SMN2CYP1A2TNKS2BRPF1
SCHEMBL9109613 0.73 GSK3B (0.49) GSK3BSMN1; SMN2CYP1A2TNKS2BRPF1
SCHEMBL9109620 0.73 GSK3B (0.49) GSK3BSMN1; SMN2CYP1A2TNKS2BRPF1

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