SCHEMBL31398152

SCHEMBL31398152

COc1cc(N)cc(C2=CCOCC2)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.41
PIK3CA P42336 7/20 0.37
PIK3CD O00329 6/20 0.37
PIK3CB P42338 6/20 0.37
PIK3CG P48736 6/20 0.37
FABP7 O15540 1/20 0.37
PIK3R1 P27986 4/20 0.37
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SUV39H2 Q9H5I1 1/20 0.35
AAK1 Q2M2I8 1/20 0.34
GCK P35557 1/20 0.34
BACE1 P56817 1/20 0.33
HTR1D P28221 1/20 0.33
CSNK1E P49674 1/20 0.33
CYP3A4 P08684 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
SCHEMBL17548182 0.82 MAPK14 (0.39) MAPK14PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL4574087 0.77 MAPK14 (0.46) MAPK14PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL22032867 0.76 PIK3CA (0.39) MAPK14PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL29858668 0.76 ATAD2 (0.47) PIK3CAPIK3CDPIK3CBPIK3CGFABP7
SCHEMBL31398138 0.76 MAOB (0.46) PIK3CAPIK3CDPIK3CBPIK3CGFABP7
SCHEMBL27185954 0.72 ALDH1A1 (0.50) ALDH1A1HPGDSMN1; SMN2HSD17B10CYP3A4
SCHEMBL30839799 0.72 ALDH1A1 (0.50) ALDH1A1HPGDSMN1; SMN2HSD17B10CYP3A4
SCHEMBL15507834 0.72 ALDH1A1 (0.54) PIK3CAPIK3CDPIK3CBPIK3CGFABP7
SCHEMBL2724261 0.72 IKBKE (0.42) PIK3CAPIK3CDPIK3CBPIK3CGFABP7
SCHEMBL1570328 0.71 FABP7 (0.45) MAPK14PIK3CAPIK3CDPIK3CBPIK3CG

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-2024262911-A1 NOVEL PYRAZOLO PYRIMIDINE-BASED COMPOUND AND USE THEREOF 주식회사 에이조스바이오 2024-12-26 WO disclosed