SCHEMBL8056592

SCHEMBL8056592

Cc1cc(-c2nn[nH]n2)cc(C(=O)NCc2ccc(F)c(C)c2)n1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 19/20 0.59
EPHX2 P34913 1/20 0.47
NR1H4 Q96RI1 1/20 0.47
MMP10 P09238 1/20 0.47
MMP9 P14780 1/20 0.47
MMP8 P22894 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
SCHEMBL8070170 0.90 MMP13 (0.61) MMP13EPHX2NR1H4
SCHEMBL4182437 0.89 MMP13 (0.61) MMP13EPHX2NR1H4
SCHEMBL3694242 0.88 MMP13 (0.62) MMP13
SCHEMBL8068866 0.86 MMP13 (0.57) MMP13MMP10MMP9MMP8
SCHEMBL8055185 0.85 MMP13 (0.54) MMP13EPHX2NR1H4MMP10MMP9
SCHEMBL3688685 0.80 MMP13 (0.63) MMP13
SCHEMBL8071832 0.79 MMP13 (0.71) MMP13
SCHEMBL8066880 0.79 XDH (0.56) MMP13
SCHEMBL8069551 0.78 MMP13 (0.61) MMP13MMP10MMP9MMP8
SCHEMBL14284157 0.77 MMP13 (0.56) MMP13EPHX2NR1H4MMP10MMP9

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
CN-101815710-A Pyrimidine and pyridine derivatives, their pharmaceutical use and compositions PFIZER 2010-08-25 CN disclosed
WO-2009016498-A1 PYRIMIDINE AND PYRIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS PFIZER INC. (US) 2009-02-05 WO disclosed