SCHEMBL3686896

SCHEMBL3686896

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

nearest known ligand 0.82

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 20/20 0.82

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
SCHEMBL8066204 0.94 MMP13 (0.85) MMP13
SCHEMBL8058576 0.94 MMP13 (0.85) MMP13
SCHEMBL8055679 0.92 MMP13 (0.81) MMP13
SCHEMBL3749454 0.92 MMP13 (0.81) MMP13
SCHEMBL8070619 0.92 MMP13 (0.81) MMP13
SCHEMBL8065828 0.92 MMP13 (0.81) MMP13
SCHEMBL8055696 0.90 MMP13 (0.82) MMP13
SCHEMBL3805009 0.90 MMP13 (1.00) MMP13
SCHEMBL3805011 0.90 MMP13 (1.00) MMP13
SCHEMBL8072446 0.90 MMP13 (0.79) 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