SCHEMBL8065705

SCHEMBL8065705

COc1cc(CNC(=O)c2cc(-c3nnn(CC4CCNCC4)n3)cc(C)n2)ccc1F

nearest known ligand 0.87

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 20/20 0.87
MMP3 P08254 1/20 0.65
SLC22A8 Q8TCC7 1/20 0.64

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
SCHEMBL8072171 0.95 MMP13 (0.80) MMP13MMP3SLC22A8
SCHEMBL8073489 0.93 MMP13 (1.00) MMP13MMP3SLC22A8
SCHEMBL8066195 0.92 MMP13 (0.88) MMP13MMP3SLC22A8
SCHEMBL3687710 0.91 MMP13 (0.78) MMP13MMP3SLC22A8
SCHEMBL3687700 0.91 MMP13 (0.78) MMP13MMP3SLC22A8
SCHEMBL8070875 0.91 MMP13 (0.78) MMP13MMP3SLC22A8
SCHEMBL3688002 0.91 MMP13 (0.87) MMP13MMP3SLC22A8
SCHEMBL8065070 0.91 MMP13 (0.87) MMP13MMP3SLC22A8
SCHEMBL8065041 0.91 MMP13 (0.87) MMP13MMP3SLC22A8
SCHEMBL8070859 0.91 MMP13 (0.87) MMP13MMP3SLC22A8

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