SCHEMBL8219951

SCHEMBL8219951

Cn1c(=O)oc2ccc(CNC(=O)c3cc(C(=O)NCc4cncnc4)n4nccc4n3)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 3/20 0.42
PIK3CD O00329 1/20 0.41
PIK3CG P48736 1/20 0.41
P2RX3 P56373 1/20 0.41
P2RX2 Q9UBL9 1/20 0.41
MMP13 P45452 3/20 0.39
ADAMTS4 O75173 1/20 0.39
MMP3 P08254 1/20 0.39
MMP8 P22894 1/20 0.39
MMP12 P39900 1/20 0.39
METTL3 Q86U44 1/20 0.36
METTL14 Q9HCE5 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 3/20 0.36
HPGD P15428 3/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
ALOX15 P16050 2/20 0.36
ALOX12 P18054 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL8228682 0.92 MMP13 (0.47) PIK3CAPIK3CDPIK3CGMMP13MAPT
SCHEMBL8225360 0.91 LMNA (0.41) PIK3CAMMP13ADAMTS4MMP3MMP8
SCHEMBL10162840 0.90 L3MBTL1 (0.48) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL10162873 0.90 TP53 (0.44) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL8225294 0.89 ADAMTS4 (0.38) PIK3CAMMP13ADAMTS4MMP3MMP8
SCHEMBL8219979 0.89 PIK3CA (0.43) PIK3CAMMP13ADAMTS4MMP3MMP8
SCHEMBL8225958 0.89 TP53 (0.44) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL8225302 0.89 HPGD (0.40) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL10162891 0.89 MMP13 (0.40) PIK3CAMMP13ADAMTS4MMP3MMP8
SCHEMBL8229036 0.88 KMT2A (0.40) MMP13ADAMTS4MMP3MMP8MMP12

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-2007139856-A2 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS, INC. (US) 2007-12-06 WO disclosed