SCHEMBL8068217

SCHEMBL8068217

COc1cc(CNC(=O)c2cc(-c3nnn(CC4CCN(S(C)(=O)=O)CC4)n3)cc(C)n2)ccc1F

nearest known ligand 0.80

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 20/20 0.80
SLC22A8 Q8TCC7 1/20 0.60
MMP3 P08254 1/20 0.60

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
SCHEMBL3691634 0.96 MMP13 (0.76) MMP13SLC22A8MMP3
SCHEMBL3691632 0.96 MMP13 (0.76) MMP13SLC22A8MMP3
SCHEMBL8072916 0.92 MMP13 (0.74) MMP13SLC22A8MMP3
SCHEMBL8060086 0.92 MMP13 (0.74) MMP13SLC22A8MMP3
SCHEMBL27813832 0.92 MMP13 (0.74) MMP13SLC22A8MMP3
SCHEMBL3688569 0.91 MMP13 (0.79) MMP13SLC22A8
SCHEMBL27792526 0.91 MMP13 (0.84) MMP13SLC22A8MMP3
SCHEMBL8071573 0.91 MMP13 (0.84) MMP13SLC22A8MMP3
SCHEMBL8069372 0.90 MMP13 (0.80) MMP13SLC22A8
SCHEMBL8070591 0.89 MMP13 (0.81) MMP13SLC22A8MMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101815710-A Pyrimidine and pyridine derivatives, their pharmaceutical use and compositions PFIZER 2010-08-25 CN disclosed
WO-2009016498-A1 PYRIMIDINE AND PYRIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS PFIZER INC. (US) 2009-02-05 WO disclosed