SCHEMBL8071597

SCHEMBL8071597

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

nearest known ligand 0.72

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 20/20 0.72
SLC22A8 Q8TCC7 1/20 0.51
MMP3 P08254 1/20 0.51

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
SCHEMBL3756468 0.96 MMP13 (0.70) MMP13MMP3
SCHEMBL8067050 0.93 MMP13 (0.75) MMP13SLC22A8
SCHEMBL8071412 0.92 MMP13 (0.74) MMP13SLC22A8
SCHEMBL3687890 0.92 MMP13 (0.80) MMP13SLC22A8
SCHEMBL8070704 0.92 MMP13 (0.71) MMP13SLC22A8
SCHEMBL13150186 0.92 MMP13 (0.71) MMP13SLC22A8
SCHEMBL3649297 0.92 MMP13 (0.80) MMP13SLC22A8
SCHEMBL8064642 0.91 MMP13 (0.69) MMP13MMP3
SCHEMBL8071838 0.91 MMP13 (0.69) MMP13SLC22A8
SCHEMBL8069424 0.89 MMP13 (0.68) MMP13

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