SCHEMBL3649503

SCHEMBL3649503

Cc1nc(C(=O)NCc2ccc(F)c(Br)c2)cc(-c2nnn(C[C@H]3CO[C@H](C(=O)O)CO3)n2)n1

nearest known ligand 0.82

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 20/20 0.82
SLC22A8 Q8TCC7 1/20 0.47

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
SCHEMBL3646741 1.00 MMP13 (0.82) MMP13SLC22A8
SCHEMBL8067851 0.93 MMP13 (0.75) MMP13SLC22A8
SCHEMBL8065828 0.93 MMP13 (0.81) MMP13
SCHEMBL3648015 0.91 MMP13 (0.82) MMP13SLC22A8
SCHEMBL3648012 0.91 MMP13 (0.82) MMP13SLC22A8
SCHEMBL3645782 0.90 MMP13 (1.00) MMP13SLC22A8
SCHEMBL8066204 0.86 MMP13 (0.85) MMP13
SCHEMBL8058576 0.86 MMP13 (0.85) MMP13
SCHEMBL3686896 0.84 MMP13 (0.82) MMP13
SCHEMBL3647458 0.84 MMP13 (0.89) 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 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