SCHEMBL8072166

SCHEMBL8072166

COc1cccc(CNC(=O)c2cc(-c3nnn(C[C@@H]4CCCNC4)n3)cc(C)n2)c1

nearest known ligand 0.83

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 20/20 0.83
MMP3 P08254 2/20 0.77

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
SCHEMBL27813845 1.00 MMP13 (0.83) MMP13MMP3
SCHEMBL8066547 1.00 MMP13 (0.83) MMP13MMP3
SCHEMBL8071255 0.91 MMP13 (0.87) MMP13MMP3
SCHEMBL8067196 0.87 MMP13 (1.00) MMP13MMP3
SCHEMBL8067183 0.87 MMP13 (1.00) MMP13MMP3
SCHEMBL8066129 0.87 MMP13 (1.00) MMP13MMP3
SCHEMBL8071062 0.87 MMP13 (1.00) MMP13MMP3
SCHEMBL8070875 0.87 MMP13 (0.78) MMP13MMP3
SCHEMBL3687700 0.87 MMP13 (0.78) MMP13MMP3
SCHEMBL3687710 0.87 MMP13 (0.78) MMP13MMP3

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-2009016498-A1 PYRIMIDINE AND PYRIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS PFIZER INC. (US) 2009-02-05 WO disclosed