SCHEMBL8064642

SCHEMBL8064642

COc1cc(CNC(=O)c2cc(-c3nnn(C[C@H]4CC[C@H](C#N)CC4)n3)nc(C)n2)ccc1F

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 20/20 0.69
MMP3 P08254 2/20 0.61

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
SCHEMBL8065785 0.93 MMP13 (0.62) MMP13MMP3
SCHEMBL8067050 0.91 MMP13 (0.75) MMP13
SCHEMBL8071597 0.91 MMP13 (0.72) MMP13MMP3
SCHEMBL8071412 0.90 MMP13 (0.74) MMP13
SCHEMBL3687890 0.90 MMP13 (0.80) MMP13
SCHEMBL8070704 0.90 MMP13 (0.71) MMP13
SCHEMBL3649297 0.90 MMP13 (0.80) MMP13
SCHEMBL13150186 0.90 MMP13 (0.71) MMP13
SCHEMBL3803305 0.89 MMP13 (0.84) MMP13MMP3
SCHEMBL3803306 0.89 MMP13 (0.84) 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