SCHEMBL3805239

SCHEMBL3805239

COc1cc(CNC(=O)c2cc(-c3nnn(CC4CCC(NC(=O)OC(C)(C)C)CC4)n3)nc(C)n2)ccc1F

nearest known ligand 0.67

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 20/20 0.67

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
SCHEMBL3805240 1.00 MMP13 (0.67) MMP13
SCHEMBL3804190 0.96 MMP13 (0.66) MMP13
SCHEMBL8071838 0.91 MMP13 (0.69) MMP13
SCHEMBL8071007 0.90 MMP13 (0.78) MMP13
SCHEMBL8055339 0.90 MMP13 (0.78) MMP13
SCHEMBL8056324 0.90 MMP13 (0.70) MMP13
SCHEMBL8067050 0.88 MMP13 (0.75) MMP13
SCHEMBL8070663 0.88 MMP13 (0.53) MMP13
SCHEMBL3804313 0.88 MMP13 (0.68) MMP13
SCHEMBL3804314 0.88 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 2 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