SCHEMBL3689570

SCHEMBL3689570

CCOc1cccc(CNC(=O)c2cc(-c3nnn(C[C@H]4CC[C@H](C(=O)O)CC4)n3)cc(C)n2)c1

nearest known ligand 0.86

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 20/20 0.86
MMP3 P08254 2/20 0.73
SLC22A8 Q8TCC7 1/20 0.72

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
SCHEMBL3648368 1.00 MMP13 (0.86) MMP13MMP3SLC22A8
SCHEMBL3761462 0.93 MMP13 (0.77) MMP13MMP3
SCHEMBL3761463 0.93 MMP13 (0.77) MMP13MMP3
SCHEMBL8070443 0.92 MMP13 (0.85) MMP13MMP3
SCHEMBL8059690 0.92 MMP13 (0.85) MMP13MMP3
SCHEMBL3646794 0.92 MMP13 (1.00) MMP13MMP3SLC22A8
SCHEMBL3685835 0.92 MMP13 (1.00) MMP13MMP3SLC22A8
SCHEMBL3686508 0.92 MMP13 (0.85) MMP13MMP3SLC22A8
SCHEMBL3799273 0.92 MMP13 (0.85) MMP13MMP3SLC22A8
SCHEMBL3806969 0.90 MMP13 (0.86) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2185537-A1 PYRIMIDINE AND PYRIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS Pfizer Inc. (US) 2010-05-19 EP disclosed
WO-2009016498-A1 PYRIMIDINE AND PYRIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS PFIZER INC. (US) 2009-02-05 WO disclosed
WO-2009016498-A1 PYRIMIDINE AND PYRIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS PFIZER INC. (US) 2009-02-05 WO disclosed