SCHEMBL31292879

SCHEMBL31292879

Brc1ccc2c(c1)C1(c3ccccc3-2)c2cccnc2-c2ncccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 5/20 0.45
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.38
KMT2A Q03164 2/20 0.38
HTT P42858 1/20 0.38
CDC25B P30305 1/20 0.37
PTPRC P08575 3/20 0.35
CTSL P07711 1/20 0.35
CTSS P25774 1/20 0.35
PTPN13 Q12923 1/20 0.35
TDP2 O95551 2/20 0.34
NSD2 O96028 2/20 0.34
PAX8 Q06710 2/20 0.34
ABL1 P00519 1/20 0.34
PLCG1 P19174 1/20 0.34
CES1 P23141 1/20 0.34
RIN1 Q13671 1/20 0.34
MEN1 O00255 1/20 0.34
THRB P10828 1/20 0.34
BLM P54132 1/20 0.34

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
SCHEMBL14681775 1.00 PDK2 (0.45) PDK2CYP1A2CYP2C19KMT2AHTT
SCHEMBL16547417 0.95 PDK2 (0.44) PDK2CYP1A2CYP2C19KMT2AHTT
SCHEMBL14099222 0.95 PDK2 (0.44) PDK2CYP1A2CYP2C19KMT2AHTT
SCHEMBL577401 0.95 PDK2 (0.41) PDK2CYP1A2CYP2C19KMT2AHTT
SCHEMBL31292796 0.91 PDK2 (0.39) PDK2CYP1A2CYP2C19KMT2AHTT
SCHEMBL5763711 0.86 PDK2 (0.38) PDK2CYP1A2CYP2C19KMT2ACDC25B
SCHEMBL31342839 0.86 PDK2 (0.38) PDK2CYP1A2CYP2C19KMT2ACDC25B
SCHEMBL19567070 0.86 PDK2 (0.37) PDK2CYP1A2CYP2C19KMT2AHTT
SCHEMBL996751 0.85 PDK2 (0.58) PDK2CYP1A2KMT2APTPRCTDP2
SCHEMBL5344736 0.85 PDK2 (0.49) PDK2CYP1A2CYP2C19KMT2ACDC25B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025023697-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME 주식회사 진웅산업 2025-01-30 WO disclosed
WO-2025023695-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 주식회사 진웅산업 2025-01-30 WO disclosed
WO-2025023702-A1 ORGANIC LIGHT-EMITTING DEVICE 주식회사 진웅산업 2025-01-30 WO disclosed