SCHEMBL30662136

SCHEMBL30662136

Cn1cc(-c2cnc(NC(N)=O)nc2)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKE Q14164 1/20 0.46
TBK1 Q9UHD2 1/20 0.46
MKNK1 Q9BUB5 1/20 0.46
MKNK2 Q9HBH9 1/20 0.46
PIK3CG P48736 1/20 0.44
PIM1 P11309 1/20 0.43
PIM2 Q9P1W9 1/20 0.43
CYP11B2 P19099 1/20 0.43
ABL1 P00519 2/20 0.42
WNT1 P04628 2/20 0.42
GSK3B P49841 2/20 0.42
DYRK1A Q13627 2/20 0.42
CLK1 P49759 1/20 0.42
NAMPT P43490 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPK1 P28482 3/20 0.42
AURKB Q96GD4 3/20 0.42

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
SCHEMBL30238347 0.81 GSK3B (0.51) MKNK1MKNK2ABL1WNT1GSK3B
SCHEMBL2336653 0.78 LRRK2 (0.41) IKBKETBK1MKNK1MKNK2PIK3CG
SCHEMBL30238308 0.78 NAMPT (0.61) IKBKETBK1MKNK1MKNK2PIK3CG
SCHEMBL30239191 0.75 MAP4K1 (0.47) ABL1WNT1GSK3BDYRK1AMAPK1
Formic Acid SCHEMBL30238719 0.74 NAMPT (0.56) IKBKETBK1MKNK1MKNK2PIK3CG
SCHEMBL3937642 0.73 ALDH1A1 (0.62) PIM1PIM2ABL1GSK3BDYRK1A
SCHEMBL30662119 0.72 PLAU (0.42) MKNK1MKNK2ABL1MAP4K4
SCHEMBL20150132 0.72 ALOX5AP (0.50) PIK3CGAURKBMAP4K4MET
SCHEMBL10993961 0.71 MEN1 (0.43) ALDH1A1HTTMAPK1
SCHEMBL30238422 0.71 STING1 (0.50) MKNK1MKNK2ABL1DYRK1AMAPK1

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
CN-111918863-B Heterocyclic compounds 武田药品工业株式会社 2024-01-05 CN disclosed