SCHEMBL8067324

SCHEMBL8067324

COc1cccc(CNC(=O)c2cc(-c3ncn(C[C@H]4CC[C@H](NC(=O)OC(C)(C)C)CC4)n3)cc(C)n2)c1

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 20/20 0.66
MMP3 P08254 2/20 0.60

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
SCHEMBL8068871 0.92 MMP13 (0.77) MMP13MMP3
SCHEMBL3807893 0.90 MMP13 (0.68) MMP13MMP3
SCHEMBL8065798 0.89 MMP13 (0.53) MMP13MMP3
SCHEMBL8070661 0.88 MMP13 (0.84) MMP13MMP3
SCHEMBL8068891 0.88 MMP13 (0.61) MMP13MMP3
SCHEMBL8072350 0.88 MMP13 (0.76) MMP13MMP3
SCHEMBL8063937 0.87 MMP13 (0.66) MMP13MMP3
SCHEMBL3809326 0.87 MMP13 (0.67) MMP13MMP3
SCHEMBL8066183 0.87 MMP13 (0.58) MMP13
SCHEMBL3804171 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