SCHEMBL3757564

SCHEMBL3757564

COC(=O)c1cc(-c2nnn(C[C@H]3CO[C@H](CO)CO3)n2)nc(C)n1

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 20/20 0.68
MMP3 P08254 1/20 0.35

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
SCHEMBL3752545 1.00 MMP13 (0.68) MMP13MMP3
SCHEMBL8071458 1.00 MMP13 (0.68) MMP13MMP3
SCHEMBL8066225 0.81 MMP13 (1.00) MMP13MMP3
SCHEMBL8055119 0.81 MMP13 (1.00) MMP13MMP3
SCHEMBL8066990 0.81 MMP13 (1.00) MMP13MMP3
SCHEMBL8055109 0.80 MMP13 (1.00) MMP13MMP3
SCHEMBL3805009 0.80 MMP13 (1.00) MMP13MMP3
SCHEMBL3644767 0.80 MMP13 (1.00) MMP13MMP3
SCHEMBL8066204 0.80 MMP13 (0.85) MMP13
SCHEMBL3686896 0.79 MMP13 (0.82) 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