SCHEMBL31342839

SCHEMBL31342839

Brc1cnc2c(c1)C1(c3ccccc3-c3ccccc31)c1cccnc1-2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 6/20 0.38
KMT2A Q03164 3/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
CDC25B P30305 2/20 0.36
PTPRC P08575 2/20 0.34
CTSL P07711 1/20 0.34
CTSS P25774 1/20 0.34
PTPN13 Q12923 1/20 0.34
TDP2 O95551 2/20 0.33
NSD2 O96028 2/20 0.33
PAX8 Q06710 2/20 0.33
MEN1 O00255 2/20 0.33
ABL1 P00519 1/20 0.33
PLCG1 P19174 1/20 0.33
CES1 P23141 1/20 0.33
RIN1 Q13671 1/20 0.33
THRB P10828 1/20 0.33
BLM P54132 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL5763711 1.00 PDK2 (0.38) PDK2KMT2ACYP1A2CYP2C19CDC25B
SCHEMBL32682808 0.92 PDK2 (0.39) PDK2KMT2AMEN1BLMS100A4
SCHEMBL31292879 0.86 PDK2 (0.45) PDK2KMT2ACYP1A2CYP2C19CDC25B
SCHEMBL14681775 0.86 PDK2 (0.45) PDK2KMT2ACYP1A2CYP2C19CDC25B
SCHEMBL22067520 0.84 AHR (0.33) PDK2
SCHEMBL29419598 0.83 PDK2 (0.49) PDK2KMT2ACYP1A2CYP2C19CDC25B
SCHEMBL32682807 0.83 PDK2 (0.49) PDK2KMT2ACYP1A2CYP2C19CDC25B
SCHEMBL5344736 0.83 PDK2 (0.49) PDK2KMT2ACYP1A2CYP2C19CDC25B
SCHEMBL31292796 0.83 PDK2 (0.39) PDK2KMT2ACYP1A2CYP2C19CDC25B
SCHEMBL14099222 0.82 PDK2 (0.44) PDK2KMT2ACYP1A2CYP2C19CDC25B

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-2025023698-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 주식회사 진웅산업 2025-01-30 WO disclosed