SCHEMBL3799063

SCHEMBL3799063

COc1cccc(CNC(=O)c2cc(-c3nnn(C[C@H]4CC[C@H](CN)CC4)n3)cc(C)n2)c1

nearest known ligand 0.87

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 20/20 0.87
MMP3 P08254 2/20 0.87

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
SCHEMBL3799076 1.00 MMP13 (0.87) MMP13MMP3
SCHEMBL8067721 0.96 MMP13 (0.83) MMP13MMP3
SCHEMBL3806802 0.94 MMP13 (0.87) MMP13MMP3
SCHEMBL3806795 0.94 MMP13 (0.87) MMP13MMP3
SCHEMBL8066387 0.94 MMP13 (0.87) MMP13MMP3
SCHEMBL8067196 0.93 MMP13 (1.00) MMP13MMP3
SCHEMBL8066129 0.93 MMP13 (1.00) MMP13MMP3
SCHEMBL8071062 0.93 MMP13 (1.00) MMP13MMP3
SCHEMBL8067183 0.93 MMP13 (1.00) MMP13MMP3
SCHEMBL3805120 0.92 MMP13 (1.00) 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